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CHEBI:175461 - 12beta-20-Ursen-12-ol

Default Structure
ChEBI IDCHEBI:175461
ChEBI Name12beta-20-Ursen-12-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12[C@H](O)CC3[C@@]4(C)CCCC(C)(C)C4CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC=C(C)[C@H](C)[C@]12[H]
InChIInChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1
InChIKeyVBUWOXTVZDSTHP-HHCMUIRZSA-N
ChEBI Ontology
Outgoing Relation(s)
12beta-20-Ursen-12-ol (CHEBI:175461) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6aR,6aR,6bR,8aS,12R,12aS,13R,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-13-ol
Manual XrefsDatabases
35014193ChemSpider
HMDB0036676HMDB