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syn-copalol

PropertiesImage
MNX_IDMNXM98985 Image of MNXM98985
referencechebi:76952
formulaC20H34O
global charge0
mol weight290.491
InChIKeyNERNKRPBSOBEHC-HZEYQZKKSA-N
InChIInChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20-/m1/s1
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO
MNX internals
InChI (mnx)InChI=1/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20-/m1/s1 Image of MNXM98985
SMILES (mnx)[CH2:1]1[CH2:2][CH2:3][C:8]([CH3:7])([CH3:9])[CH:4]2[CH2:5][CH2:6][C:18](=[CH2:19])[C@@H:12]([CH2:13][CH2:14]/[C:16]([CH3:15])=[CH:17]/[CH2:20][OH:21])[C@:10]12[CH3:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76952
chebi:76952
NERNKRPBSOBEHC-HZEYQZKKSA-N
syn-copalol
(+)-9,10-syn-copalol
(+)-9,10-syn-labda-8(17),13E-dien-15-ol
(2E)-3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-ol
syn-labda-8(17),13E-dien-15-ol

metacyc.compound:CPD-14033
metacycM:CPD-14033
seed.compound:cpd24133
seedM:cpd24133
NERNKRPBSOBEHC-HZEYQZKKSA-N
syn-copalol

seedM:M_cpd24133
secondary/obsolete/fantasy identifier