Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 16:13:10 UTC
Update Date2022-08-31 06:52:12 UTC
Metabolite IDMMDBc0026569
Metabolite Identification
Common NameFumihopaside B
Description2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]prop-2-enoic acid belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Based on a literature review very few articles have been published on 2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]prop-2-enoic acid.
Structure
Synonyms
ValueSource
2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-Hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0,.0,.0,]henicosan-6-yl]prop-2-enoateGenerator
Molecular FormulaC36H58O9
Average Mass634.851
Monoisotopic Mass634.408083448
IUPAC Name2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]prop-2-enoic acid
Traditional Name2-[(1R,2R,5S,6S,9S,10R,13R,14R,17S,18S,19R)-17-hydroxy-1,2,9,14,18-pentamethyl-18-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]prop-2-enoic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(CC[C@@]2(C)[C@@]1([H])CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@]([H])(O)[C@](C)(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]3([H])CC[C@@]12C)C(=C)C(O)=O
InChI Identifier
InChI=1S/C36H58O9/c1-19(30(42)43)20-9-13-32(2)21(20)10-15-35(5)24(32)7-8-25-33(3)14-12-26(38)34(4,23(33)11-16-36(25,35)6)18-44-31-29(41)28(40)27(39)22(17-37)45-31/h20-29,31,37-41H,1,7-18H2,2-6H3,(H,42,43)/t20-,21+,22-,23-,24-,25-,26+,27-,28+,29-,31+,32+,33+,34-,35-,36-/m1/s1
InChI KeyCDXFIIJJBSZVKV-DADTXQHTSA-N