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#1;DESACYL-MASONOSIDE-4;3-O-[BETA-D-FUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAM

Compound with spectra: 1 NMR

#1;DESACYL-MASONOSIDE-4;3-O-[BETA-D-FUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAM
SpectraBase Compound ID ESFu7I5K2lR
InChI InChI=1S/C70H114O36/c1-25-37(76)42(81)47(86)56(96-25)93-20-32-40(79)44(83)49(88)60(100-32)105-55-30(74)17-65(6)34(66(55,7)22-72)12-13-67(8)35(65)11-10-28-29-16-64(4,5)14-15-70(29,36(75)18-68(28,67)9)63(91)106-61-53(52(38(77)26(2)97-61)103-59-48(87)43(82)39(78)31(19-71)99-59)104-58-50(89)45(84)51(27(3)98-58)102-57-46(85)41(80)33(21-94-57)101-62-54(90)69(92,23-73)24-95-62/h10,25-27,29-62,71-90,92H,11-24H2,1-9H3/t25-,26-,27+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44+,45+,46+,47-,48+,49-,50-,51+,52+,53-,54-,55+,56-,57-,58+,59-,60+,61+,62-,65+,66+,67-,68-,69+,70-/m1/s1
InChIKey MQPPKQQFINUGCL-KSFBUUQQSA-N
Mol Weight 1531.6 g/mol
Molecular Formula C70H114O36
Exact Mass 1530.70898 g/mol
Enantiomer InChIKey MQPPKQQFINUGCL-JVPCDTDASA-N

View Spectrum of #1;DESACYL-MASONOSIDE-4;3-O-[BETA-D-FUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAM

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
Nickel, [methyl 17-methyl-2,7,12-triphenyl-22,23,24,25-tetraazapentacyclo[17.2.1.1(3,6).1(8,11).1(13,16)]pentacosa-1(22),2,4,6,8(24),9,11,13,15,18-decaene-17-ca rboxylato(2-)-N22,N23,N24,N25]-, [SP-4-2-(S)]-
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
Title Journal or Book Year
Minor desacylsaponins from the corms of Crocosmia masoniorum Phytochemistry 1994
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