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3-oxo-23-hydroxyurs-12-en-28-oic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_67951

A pentacyclic triterpenoid that is urs-12-ene substituted by an oxo group at position 3, a carboxy group at position 28 and a hydroxy group at position 23. It has been isolated from Juglans sinensis.

Term info

Label

3-oxo-23-hydroxyurs-12-en-28-oic acid

Synonyms
  • 23-hydroxy-3-oxours-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
23-hydroxy-3-oxours-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H46O4

has obo namespace

chebi_ontology

id

CHEBI:67951

inchi

InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1

inchikey

RWFVBIQKMCLKMM-CARKBDGISA-N

mass

470.68380

monoisotopicmass

470.33961

smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O