John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1Ii9eZUltvV

(accessed ).
#4;TRIDESMOSAPONIN-B;3-0-(ALPHA-L-RHAMNOPYRANOSYL)-28-0-[(ALPHA-L-RHAMNOPYRANOSYL-(1->3))-(ALPHA-L-RHAMNOPYRANOSYL-(1->4))-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-
SpectraBase Compound ID 1Ii9eZUltvV
InChI InChI=1S/C64H104O31/c1-22-34(70)38(74)42(78)53(86-22)90-31-20-85-52(46(82)48(31)92-54-43(79)39(75)35(71)23(2)87-54)91-47-25(4)89-55(45(81)41(47)77)93-49-37(73)30(68)19-84-57(49)95-58(83)64-14-13-59(5,6)15-27(64)26-11-12-32-60(7)16-29(67)51(94-56-44(80)40(76)36(72)24(3)88-56)61(8,21-65)50(60)28(66)17-63(32,10)62(26,9)18-33(64)69/h11,22-25,27-57,65-82H,12-21H2,1-10H3/t22-,23+,24-,25-,27-,28+,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-,60+,61-,62+,63+,64+/m0/s1
InChIKey PPKMWNBXBPILIW-JIDKPONPSA-N
Mol Weight 1369.5 g/mol
Molecular Formula C64H104O31
Exact Mass 1368.656158 g/mol
Enantiomer InChIKey PPKMWNBXBPILIW-YMHRLGQSSA-N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Quamoclin II peracetate[(S)-Convolvulinoic acid 11-O.beta,-D-glucopyranosyl-(1-3)-O-[4-O-2(S)-methylbutyryl-.alpha.,L-rhamnopyranosyl-(1-4)]-O-(2-O-n-dodececanoyl).alpha.,L-rhamnopyranosyl-(1-4)-O-.alpha.-L-rhymnopyranosyl[-(1-2)-.beta.D-fucopyranoside peracetate]
Quamoclin I peracetate [(S)-Convolvulinoic acid 11-O.beta,-D-glucopyranosyl-(1-3)-O-[4-O-2(S)-methylbutyryl-.alpha.,L-rhamnopyranosyl-(1-4)]-O-(2-O-n-dodececanoyl).alpha.,L-rhamnopyranosyl-(1-4)-O-.alpha.-L-rhymnopyranosyl[-(1-2)-.beta.D-fucopyranoside peracetate]
1,1,2',2'-Tetraethyl-1',2',3',8',9',10',11',23',34',35',36',35'a-dodecahydro-14'-20'-38'-41'-tetramethylspiro[piperidine-4,17'-[4,6:13,16:18,21]trietheno[28,32:31,35]dimethano[17H][1,6,16,21]tetraoxacyclotriacontino[25,24-c]pyridinium]Dichloride
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
1,7,2,6-Ethanediylidene-6a,10c-(methaniminomethano)-3H,6H,7H,8H-2b,4, 5a,7a,9,10a-hexaazadicyclopent[d,i]acenaphthylene-12-acetic acid, 1-bromooctahydro-.alpha.-(2-methylpropyl)-3,5,8,10,11,13-hexaoxo-4,9- diphenyl-, hexyl ester, (S)-
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*)-
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.)]-
2(3H)-Furanone, 5-[3-(acetyloxy)hexadecahydro-16-methoxy-4,4,8,10-tetramethyl-16,14-(epoxymethano)-14H-cyclopenta[a]phenanthren-17-yl]dihydro-5-methyl-, [3S-[3.alpha.,5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,1 6.beta.,17.alpha.(R*)]]-
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
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-6-deoxy-3,4-di-O-methyl-.alpha.-L-mannopyranos yl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galact opyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
Title Journal or Book Year
Saponins fromTridesmostemon claessenssi Phytochemistry 1990
Unknown Identification

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