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triptotritepenonic acid A

Go to external page http://purl.obolibrary.org/obo/CHEBI_132618

A pentacyclic triterpenoid with formula C30H46O4, originally isolated from Tripterygium wilfordii.

Term info

Label

triptotritepenonic acid A

Synonyms
  • (18alpha,22alpha)-22-hydroxy-3-oxoolean-12-en-30-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(18alpha,22alpha)-22-hydroxy-3-oxoolean-12-en-30-oic acid [ IUPAC ]

charge

0

formula

C30H46O4

has obo namespace

chebi_ontology

has related synonym

3-Oxo-22-hydroxy-olean-12-en-29-oic acid, 3-Oxo-22alpha-hydroxy-delta(12)-oleanen-29-oic acid

id

CHEBI:132618

inchi

InChI=1S/C30H46O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,23+,26-,27-,28+,29-,30-/m1/s1

inchikey

RUJQEBHXYLCSKV-ARWMTBEKSA-N

mass

470.685

monoisotopicmass

470.33961

smiles

C1C(=O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@@]4(C[C@@](C[C@@H]5O)(C)C(O)=O)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C