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CHEBI:141820 - 3β-hydroxy-15,16-epoxydolabrene

Default Structure
ChEBI IDCHEBI:141820
ChEBI Name3β-hydroxy-15,16-epoxydolabrene
Stars
ASCII Name3beta-hydroxy-15,16-epoxydolabrene
DefinitionA tricyclic diterpenoid that is 15,16-epoxydolabrene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.
Last Modified5 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CC[C@]3(C)C(=C)[C@@H](O)CC[C@@]3([H])[C@]1(C)CC[C@](C)(C1CO1)C2
InChIInChI=1S/C20H32O2/c1-13-15(21)5-6-16-19(13,3)8-7-14-11-18(2,17-12-22-17)9-10-20(14,16)4/h14-17,21H,1,5-12H2,2-4H3/t14-,15+,16-,17?,18+,19-,20-/m1/s1
InChIKeyJPGKQPWEFBWKDM-XVMBTQODSA-N
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) has functional parent 15,16-epoxydolabrene (CHEBI:141821)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a epoxide (CHEBI:32955)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a secondary allylic alcohol (CHEBI:134396)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(2S,4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylidene-7-[(2Ξ)-oxiran-2-yl]tetradecahydrophenanthren-2-ol
UniProt Name  Source
3β-hydroxy-15,16-epoxydolabreneUniProt
Manual XrefsDatabases
CPD-21267MetaCyc
Citations