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2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_67950

A pentacyclic triterpenoid that is urs-12-ene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3alpha stereoisomer). It has been isolated from Juglans sinensis.

Term info

Label

2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid

Synonyms
  • 2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O5

has obo namespace

chebi_ontology

id

CHEBI:67950

inchi

InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1

inchikey

JXSVIVRDWWRQRT-SVOQGVCWSA-N

mass

488.69910

monoisotopicmass

488.35017

smiles

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