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FR207944

Go to external page http://purl.obolibrary.org/obo/CHEBI_65913

A triterpene glycoside with strong antifungal activity against Aspergillus fumigatus and Candida albicans. It is isolated from natural Chaetomium sp.no.217.

Term info

Label

FR207944

Synonyms
  • (1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-8-(beta-D-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-8-(beta-D-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid [ IUPAC ]

charge

0

formula

C38H62O10

has obo namespace

chebi_ontology

id

CHEBI:65913

inchi

InChI=1S/C38H62O10/c1-19(2)20(3)35(7)15-16-37(9)23-11-12-26-34(5,6)31(48-33-29(43)28(42)27(41)25(18-39)47-33)24(46-21(4)40)17-36(26,8)22(23)13-14-38(37,10)30(35)32(44)45/h19-20,24-31,33,39,41-43H,11-18H2,1-10H3,(H,44,45)/t20-,24-,25-,26+,27-,28+,29-,30-,31+,33+,35-,36-,37-,38+/m1/s1

inchikey

VAULMUOCCMYLIA-SQBLQFOUSA-N

mass

678.89290

monoisotopicmass

678.43430

smiles

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](C[C@]2(C)C3=C(CC[C@@]2([H])C1(C)C)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(O)=O)[C@]1(C)CC3)OC(C)=O