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cyclooctat-9-en-7-ol

MNXM146266 is deprecated and here replaced by MNXM728776
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728776 Image of MNXM728776
referencechebi:78352
formulaC20H34O
global charge0
mol weight290.491
InChIKeyJEGYHIKVYHOKQY-PNDCXJIESA-N
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m1/s1
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3[C@@](C)(O)C/C=C/12
MNX internals
InChI (mnx)InChI=1/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m1/s1 Image of MNXM728776
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C@H:15]1[CH2:8][CH2:10][C@:19]2([CH3:4])[CH2:12][C@@H:16]3[C@H:14]([CH3:3])[CH2:6][CH2:7][C@H:18]3[C@@:20]([CH3:5])([OH:21])[CH2:11]/[CH:9]=[C:17]/12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78352
chebi:78352
JEGYHIKVYHOKQY-PNDCXJIESA-N 		cyclooctat-9-en-7-ol
(1R,3aR,4S,6Z,7R,9aR,10aR)-1,4,9a-trimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-4-ol
(1R,3aR,4S,6Z,7R,9aR,10aR)-1,4,9a-trimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cycloocten-4-ol
(1R,3aR,4S,6Z,7R,9aR,10aR)-7-isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-4-ol
(1R,3aR,4S,6Z,7R,9aR,10aR)-7-isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cycloocten-4-ol

metacyc.compound:CPD-16667
metacycM:CPD-16667
seed.compound:cpd32078
seedM:cpd32078
JEGYHIKVYHOKQY-PNDCXJIESA-N 		cyclooctat-9-en-7-ol

seedM:M_cpd32078 		secondary/obsolete/fantasy identifier