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salvin A

Go to external page http://purl.obolibrary.org/obo/CHEBI_66155

A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 5 (the 2alpha,3beta stereoisomer). Isolated from Salvia santolinifolia, it exhibits inhibitory activity against cholinesterase.

Term info

Label

salvin A

Synonyms
  • (2alpha,3beta)-2,3,5-trihydroxyurs-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2alpha,3beta)-2,3,5-trihydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O5

has obo namespace

chebi_ontology

id

CHEBI:66155

inchi

InChI=1S/C30H48O5/c1-17-10-11-29(24(33)34)14-12-26(5)19(22(29)18(17)2)8-9-21-27(26,6)13-15-30(35)25(3,4)23(32)20(31)16-28(21,30)7/h8,17-18,20-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23+,26-,27-,28-,29+,30-/m1/s1

inchikey

XJHLRTKILMVGFI-WRKHHLQNSA-N

mass

488.69910

monoisotopicmass

488.35017

smiles

[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1(O)C(C)(C)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O