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(13S)-edaxadiene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1374971

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₀H₃₄O

charge

mass

290.491

reference

chebi:63180

InChIKey

TXBORCBWDUAHAC-JQERWDHBSA-N

InChI

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

SMILES

[CH2:1]=[CH:7][C@:19]([CH3:5])([CH2:13][CH2:14][C@:20]1([CH3:6])[C@@H:15]([CH3:2])[CH2:10][CH:11]=[C:16]2[C@H:17]1[CH2:9][CH2:8][CH2:12][C:18]2([CH3:3])[CH3:4])[OH:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63180 chebi:63180	(13S)-edaxadiene (13S)-isotuberculosinol (13S)-nosyberkol (3S)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-1-en-3-ol
kegg.compound:C19964 keggC:C19964	(13S)-Isotuberculosinol
seed.compound:cpd21203 seedM:cpd21203	(13S)-Isotuberculosinol (13S)-edaxadiene (13S)-isotuberculosinol (13S)-nosyberkol nosyberkol
SLM:000390234 slm:000390234	(13S)-edaxadiene
keggC:M_C19964 seedM:M_cpd21203	secondary/obsolete/fantasy identifier