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cyclooctat-9-ene-5,7-diol

PropertiesImage
MNX_IDMNXM148175 Image of MNXM148175
referencechebi:141020
formulaC20H34O2
global charge0
mol weight306.49
InChIKeyPAGWWOOUBKDVRF-NNLKJMRESA-N
InChIInChI=1S/C20H34O2/c1-12(2)14-6-8-19(4)11-15-13(3)10-17(21)18(15)20(5,22)9-7-16(14)19/h7,12-15,17-18,21-22H,6,8-11H2,1-5H3/b16-7-/t13-,14-,15-,17-,18+,19-,20+/m1/s1
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3C)[C@@](C)(O)C/C=C/12
MNX internals
InChI (mnx)InChI=1/C20H34O2/c1-12(2)14-6-8-19(4)11-15-13(3)10-17(21)18(15)20(5,22)9-7-16(14)19/h7,12-15,17-18,21-22H,6,8-11H2,1-5H3/b16-7-/t13-,14-,15-,17-,18+,19-,20+/m1/s1 Image of MNXM148175
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[C@H:14]1[CH2:6][CH2:8][C@:19]2([CH3:4])[CH2:11][C@@H:15]3[C@H:13]([CH3:3])[CH2:10][C@@H:17]([OH:21])[C@H:18]3[C@@:20]([CH3:5])([OH:22])[CH2:9]/[CH:7]=[C:16]/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:141020
chebi:141020
PAGWWOOUBKDVRF-NNLKJMRESA-N 		cyclooctat-9-ene-5,7-diol
(1R,3R,3aS,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]annulene-3,4-diol
cyclooctat-9-en-5,7-diol

metacyc.compound:CPD-16668
metacycM:CPD-16668
seed.compound:cpd34092
seedM:cpd34092
PAGWWOOUBKDVRF-NNLKJMRESA-N 		cyclooctat-9-en-5,7-diol

seedM:M_cpd34092 		secondary/obsolete/fantasy identifier