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CHEBI:141821 - 15,16-epoxydolabrene

ChEBI IDCHEBI:141821
ChEBI Name15,16-epoxydolabrene
Stars
DefinitionA tricyclic diterpenoid that is dolabradiene in which vinyl substituent has undergone oxidation to give the corresponding epoxide.
Last Modified5 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@]12CC[C@]3(C)C(=C)CCC[C@@]3([H])[C@]1(C)CC[C@](C)(C1CO1)C2
InChIInChI=1S/C20H32O/c1-14-6-5-7-16-19(14,3)9-8-15-12-18(2,17-13-21-17)10-11-20(15,16)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17?,18+,19-,20-/m1/s1
InChIKeyMDUIQYUVECBDRX-LBNFNQNDSA-N
ChEBI Ontology
Outgoing Relation(s)
15,16-epoxydolabrene (CHEBI:141821) has functional parent dolabradiene (CHEBI:141822)
15,16-epoxydolabrene (CHEBI:141821) is a epoxide (CHEBI:32955)
15,16-epoxydolabrene (CHEBI:141821) is a olefinic compound (CHEBI:78840)
15,16-epoxydolabrene (CHEBI:141821) is a tricyclic diterpenoid (CHEBI:79084)
Incoming Relation(s)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) has functional parent 15,16-epoxydolabrene (CHEBI:141821)
IUPAC Name 
(2Ξ)-2-[(2S,4aR,4bS,8aS,10aR)-2,4a,8a-trimethyl-8-methylenetetradecahydrophenanthren-2-yl]oxirane
UniProt Name  Source
15,16-epoxydolabreneUniProt
Manual XrefsDatabases
CPD-21266MetaCyc
Citations