Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:09:57 UTC
Update Date2022-08-12 20:09:28 UTC
Metabolite IDMMDBc0055893
Metabolite Identification
Common Namedehydroprobetaenone I
DescriptionDehydroprobetaenone I belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Based on a literature review very few articles have been published on Dehydroprobetaenone I.
Structure
SynonymsNot Available
Molecular FormulaC21H34O2
Average Mass318.501
Monoisotopic Mass318.255880335
IUPAC Name(2Z)-1-[(1R,2S,4aR,6S,8R,8aS)-2-[(2R)-butan-2-yl]-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxyprop-2-en-1-one
Traditional Name(2Z)-1-[(1R,2S,4aR,6S,8R,8aS)-2-[(2R)-butan-2-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxyprop-2-en-1-one
CAS Registry NumberNot Available
SMILES
[H]\C(O)=C(/[H])C(=O)[C@@]1(C)[C@]([H])(C(C)=C[C@@]2([H])C[C@@]([H])(C)C[C@@]([H])(C)[C@]12[H])[C@]([H])(C)CC
InChI Identifier
InChI=1S/C21H34O2/c1-7-14(3)19-16(5)12-17-11-13(2)10-15(4)20(17)21(19,6)18(23)8-9-22/h8-9,12-15,17,19-20,22H,7,10-11H2,1-6H3/b9-8-/t13-,14+,15+,17+,19-,20-,21-/m0/s1
InChI KeyBINVZINZKJFBTL-QQJLSPJJSA-N