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25-hydroxy-3-epidehydrotumulosic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_68357

A tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Poria cocos.

Term info

Label

25-hydroxy-3-epidehydrotumulosic acid

Synonyms
  • (3alpha,16alpha)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3alpha,16alpha)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid [ IUPAC ]

charge

0

formula

C31H48O5

has obo namespace

chebi_ontology

id

CHEBI:68357

inchi

InChI=1S/C31H48O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-25,32-33,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19-,22-,23+,24-,25+,29-,30-,31+/m1/s1

inchikey

GDIGQYHXIOMOQU-NEAGZGJDSA-N

mass

500.70980

monoisotopicmass

500.35017

smiles

CC(C)(O)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O