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combretanone C

Go to external page http://purl.obolibrary.org/obo/CHEBI_69997

A pentacyclic triterpenoid that is 9beta,19-cyclolanost-23-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 25. It has been isolated from the leaves of Combretum quadrangulare.

Term info

Label

combretanone C

Synonyms
  • (23E)-7beta,25-dihydroxy-9beta,19-cyclolanost-23-en-3-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(23E)-7beta,25-dihydroxy-9beta,19-cyclolanost-23-en-3-one [ IUPAC ]

charge

0

formula

C30H48O3

has obo namespace

chebi_ontology

id

CHEBI:69997

inchi

InChI=1S/C30H48O3/c1-19(9-8-12-25(2,3)33)20-10-13-28(7)24-21(31)17-22-26(4,5)23(32)11-14-29(22)18-30(24,29)16-15-27(20,28)6/h8,12,19-22,24,31,33H,9-11,13-18H2,1-7H3/b12-8+/t19-,20-,21+,22+,24+,27-,28+,29-,30+/m1/s1

inchikey

RROWKYAPFZNHKO-FVOKRUCCSA-N

mass

456.70030

monoisotopicmass

456.36035

smiles

C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C