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triptotriterpenic acid C

Go to external page http://purl.obolibrary.org/obo/CHEBI_132617

A pentacyclic triterpenoid with formula C30H48O4, originally isolated from the roots of Tripterygium wilfordii.

Term info

Label

triptotriterpenic acid C

Synonyms
  • (3beta,22alpha)-3,22-dihydroxyurs-12-en-30-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,22alpha)-3,22-dihydroxyurs-12-en-30-oic acid [ IUPAC ]

charge

0

formula

C30H48O4

has obo namespace

chebi_ontology

has related synonym

tripterygic acid A, 3beta,22alpha-dihydroxyurs-12-en-30-oic acid

id

CHEBI:132617

inchi

InChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23-,24-,27-,28-,29+,30+/m0/s1

inchikey

IWVWTVWLRSUYNC-YLOASUEESA-N

mass

472.701

monoisotopicmass

472.35526

smiles

C1[C@H](O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@]4([C@H]([C@@H](C[C@@H]5O)C(O)=O)C)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C