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alpha-amyrin

Go to external page http://purl.obolibrary.org/obo/CHEBI_10213

A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group.

Term info

Label

alpha-amyrin

Synonyms
  • (3beta)-urs-12-en-3-ol
  • alpha-Amyrin
  • alpha-amyrin
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta)-urs-12-en-3-ol [ IUPAC ]

charge

0

formula

C30H50O

has obo namespace

chebi_ontology

has related synonym

viminalol, alpha-amyrine, urs-12-ene-3beta-ol, 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol, alpha-amyrenol, 5alpha-urs-12-en-3beta-ol

id

CHEBI:10213

inchi

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

inchikey

FSLPMRQHCOLESF-SFMCKYFRSA-N

mass

426.71740

monoisotopicmass

426.38617

smiles

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C