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(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]

Compound with spectra: 1 NMR

(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]
SpectraBase Compound ID LK2YIXX0Nrq
InChI InChI=1S/C58H92O19/c1-14-30(5)49(69)77-48-47(74-37(61)24-29(4)17-15-16-28(2)3)53(6,7)25-32-31-18-19-35-55(10)22-21-36(54(8,9)34(55)20-23-56(35,11)57(31,12)45(67)46(68)58(32,48)27-60)73-52-44(41(65)40(64)43(75-52)50(70)71-13)76-51-42(66)39(63)38(62)33(26-59)72-51/h16,18,24,30,32-36,38-48,51-52,59-60,62-68H,14-15,17,19-23,25-27H2,1-13H3/b29-24-/t30?,32-,33+,34?,35+,36-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48-,51-,52+,55-,56+,57-,58-/m0/s1
InChIKey WUKABEODCYYRKR-FIUFYUBWSA-N
Mol Weight 1093.4 g/mol
Molecular Formula C58H92O19
Exact Mass 1092.623281 g/mol
Enantiomer InChIKey WUKABEODCYYRKR-DDZNYYEDSA-N

View Spectrum of (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
tert-butyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indole-3,4'-pyran]-3'-carboxylate tert-butyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]-3'-spiro[indoline-3,4'-pyran]carboxylic acid tert-butyl ester (3R)-6'-amino-1-[2-(benzyloxy)-2-keto-ethyl]-5'-cyano-2-keto-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid tert-butyl ester
prop-2-enyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indole-3,4'-pyran]-3'-carboxylate allyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]-3'-spiro[indoline-3,4'-pyran]carboxylic acid allyl ester (3R)-6'-amino-1-[2-(benzyloxy)-2-keto-ethyl]-5'-cyano-2-keto-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid allyl ester
ethyl 2-[4-(2-ethoxy-2-oxoethylidene)-2,2,5',5',7,9-hexamethylspiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetate ethyl (2Z)-2-[(4Z)-4-(2-ethoxy-2-oxoethylidene)-2,2,5',5',7,9-hexamethylspiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetate ethyl 2-[4-(2-ethoxy-2-oxo-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetate ethyl (2Z)-2-[(4Z)-4-(2-ethoxy-2-oxo-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetate (2Z)-2-[(4Z)-4-(2-ethoxy-2-oxoethylidene)-2,2,5',5',7,9-hexamethyl-2'-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]ylidene]acetic acid ethyl ester 2-[4-(2-ethoxy-2-oxoethylidene)-2,2,5',5',7,9-hexamethyl-2'-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]ylidene]acetic acid ethyl ester (2Z)-2-[(4Z)-4-(2-ethoxy-2-keto-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetic acid ethyl ester 2-[4-(2-ethoxy-2-keto-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]acetic acid ethyl ester ethyl (2Z)-2-[(4Z)-4-(2-ethoxy-2-oxo-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]ethanoate ethyl 2-[4-(2-ethoxy-2-oxo-ethylidene)-2,2,5',5',7,9-hexamethyl-spiro[1,3-dihydro-3-benzazepine-6,3'-pyrrolidine]-2'-ylidene]ethanoate
ethyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indole-3,4'-pyran]-3'-carboxylate ethyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-[2-oxo-2-(phenylmethoxy)ethyl]-3'-spiro[indoline-3,4'-pyran]carboxylic acid ethyl ester (3R)-6'-amino-1-[2-(benzyloxy)-2-keto-ethyl]-5'-cyano-2-keto-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid ethyl ester
2-methoxyethyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate 2-methoxyethyl (3R)-1-allyl-6'-amino-5'-cyano-2'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-1-allyl-6'-amino-5'-cyano-2'-methyl-2-oxo-3'-spiro[indoline-3,4'-pyran]carboxylic acid 2-methoxyethyl ester (3R)-1-allyl-6'-amino-5'-cyano-2-keto-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid 2-methoxyethyl ester 2-methoxyethyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enyl-spiro[indole-3,4'-pyran]-3'-carboxylate
methyl (3R)-6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-ynylspiro[indole-3,4'-pyran]-3'-carboxylate methyl (3R)-6'-amino-5'-cyano-2'-(2-methoxy-2-oxo-ethyl)-2-oxo-1-prop-2-ynyl-spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-ynyl-3'-spiro[indoline-3,4'-pyran]carboxylic acid methyl ester (3R)-6'-amino-5'-cyano-2-keto-2'-(2-keto-2-methoxy-ethyl)-1-propargyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid methyl ester methyl (3R)-6'-amino-5'-cyano-2'-(2-methoxy-2-oxo-ethyl)-2-oxo-1-prop-2-ynyl-spiro[indole-3,4'-pyran]-3'-carboxylate
ethyl (3S)-5'-acetyl-2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate ethyl (3S)-5'-acetyl-1-allyl-2'-amino-6'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate (3S)-5'-acetyl-1-allyl-2'-amino-6'-methyl-2-oxo-3'-spiro[indoline-3,4'-pyran]carboxylic acid ethyl ester (3S)-5'-acetyl-1-allyl-2'-amino-2-keto-6'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid ethyl ester ethyl (3S)-2'-amino-5'-ethanoyl-6'-methyl-2-oxo-1-prop-2-enyl-spiro[indole-3,4'-pyran]-3'-carboxylate
propan-2-yl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate isopropyl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxo-ethyl)-2'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-3'-spiro[indoline-3,4'-pyran]carboxylic acid isopropyl ester (3R)-6'-amino-5'-cyano-2-keto-1-(2-keto-2-methoxy-ethyl)-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid isopropyl ester propan-2-yl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxo-ethyl)-2'-methyl-2-oxo-spiro[indole-3,4'-pyran]-3'-carboxylate
ethyl (4S)-2-amino-1'-(2-ethoxy-2-oxoethyl)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate ethyl (4S)-2-amino-1'-(2-ethoxy-2-oxo-ethyl)-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydrochromene-4,3'-indoline]-3-carboxylate (4S)-2-amino-1'-(2-ethoxy-2-oxoethyl)-7,7-dimethyl-2',5-dioxo-3-spiro[6,8-dihydrochromene-4,3'-indoline]carboxylic acid ethyl ester (4S)-2-amino-1'-(2-ethoxy-2-keto-ethyl)-2',5-diketo-7,7-dimethyl-spiro[6,8-dihydrochromene-4,3'-indoline]-3-carboxylic acid ethyl ester ethyl (4S)-2-amino-1'-(2-ethoxy-2-oxo-ethyl)-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
methyl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate methyl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxo-ethyl)-2'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-3'-spiro[indoline-3,4'-pyran]carboxylic acid methyl ester (3R)-6'-amino-5'-cyano-2-keto-1-(2-keto-2-methoxy-ethyl)-2'-methyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid methyl ester methyl (3R)-6'-amino-5'-cyano-1-(2-methoxy-2-oxo-ethyl)-2'-methyl-2-oxo-spiro[indole-3,4'-pyran]-3'-carboxylate
Title Journal or Book Year
Cytotoxic Triterpenoid Saponins from Symplocos chinensis Journal of Natural Products 2004
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