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

Compound with spectra: 1 NMR

(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aS,9R,10R,12aS,14aR,14bR)-7,8,9,10-tetrahydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran
SpectraBase Compound ID AOJBGmmpnkC
InChI InChI=1S/C48H78O21/c1-43(2)15-20-19-9-10-24-45(5)13-12-25(44(3,4)23(45)11-14-46(24,6)47(19,7)36(59)38(61)48(20,18-51)37(60)35(43)58)66-42-33(68-41-30(56)28(54)26(52)21(16-49)64-41)31(57)32(34(69-42)39(62)63-8)67-40-29(55)27(53)22(17-50)65-40/h9,20-38,40-42,49-61H,10-18H2,1-8H3/t20-,21+,22+,23?,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42+,45-,46+,47-,48+/m0/s1
InChIKey HAKHPDLODDSOTK-MXPXATEMSA-N
Mol Weight 991.1 g/mol
Molecular Formula C48H78O21
Exact Mass 990.50356 g/mol
Enantiomer InChIKey HAKHPDLODDSOTK-NFFLOMCESA-N

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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Cytotoxic Triterpenoid Saponins from Symplocos chinensis Journal of Natural Products 2004
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