Feedback

(12E)-9alpha-labda-8(17),12,14-triene

Properties

Image

Occurences in reactions

MNX_ID

MNXM4898

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

formula

C₂₀H₃₂

charge

mass

272.2504

reference

InChIKey

VJVMMXUPZGOBSN-URKRXPPWSA-N

InChI

InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20-/m1/s1

SMILES

C=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63707 chebi:63707	(12E)-9alpha-labda-8(17),12,14-triene (4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene 5alpha,9alpha,10beta-labda-8(17),12E,14-triene syn-labda-8(17),12E,14-triene
seed.compound:cpd21418 seedM:cpd21418	(12E)-9alpha-Labda-8(17),12,14-triene (12E)-9alpha-labda-8(17),12,14-triene (4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene (4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene 5alpha,9alpha,10beta-labda-8(17),12E,14-triene syn-Labda-8(17),12E,14-triene syn-labda-8(17),12E,14-triene
kegg.compound:C20185 keggC:C20185	(12E)-9alpha-Labda-8(17),12,14-triene (4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene syn-Labda-8(17),12E,14-triene
metacyc.compound:CPD-13868 metacycM:CPD-13868	syn-labda-8(17),12E,14-triene (12E)-9alpha-labda-8(17),12,14-triene (4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene 5alpha,9alpha,10beta-labda-8(17),12E,14-triene
keggC:M_C20185 seedM:M_cpd21418	secondary/obsolete/fantasy identifier