Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-10-17 17:53:55 UTC
Update Date2022-10-17 17:53:55 UTC
Metabolite IDMMDBc0057114
Metabolite Identification
Common Name(13R)-Edaxadiene
Description(13R)-edaxadiene, also known as (13R)-nosyberkol, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Based on a literature review very few articles have been published on (13R)-edaxadiene.
Structure
Synonyms
ValueSource
(13R)-IsotuberculosinolChEBI
(13R)-NosyberkolChEBI
Molecular FormulaC20H34O
Average Mass290.491
Monoisotopic Mass290.260965715
IUPAC Name(3R)-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
Traditional Name(13R)-edaxadiene
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC[C@@](C)(O)C=C
InChI Identifier
InChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19-,20+/m0/s1
InChI KeyTXBORCBWDUAHAC-MFHCWRBVSA-N