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cyclooctatin

PropertiesImage
MNX_IDMNXM149006 Image of MNXM149006
referencechebi:78370
formulaC20H34O3
global charge0
mol weight322.489
InChIKeyMSKFOQCDNOFJAT-VCRXIKTMSA-N
InChIInChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@@H](O)[C@H]3[C@@](C)(O)C/C=C/12
MNX internals
InChI (mnx)InChI=1/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1 Image of MNXM149006
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[C@H:14]1[CH2:5][CH2:7][C@:19]2([CH3:3])[CH2:10][C@@H:15]3[C@H:13]([CH2:11][OH:21])[CH2:9][C@@H:17]([OH:22])[C@H:18]3[C@@:20]([CH3:4])([OH:23])[CH2:8]/[CH:6]=[C:16]/12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78370
chebi:78370
MSKFOQCDNOFJAT-VCRXIKTMSA-N 		cyclooctatin
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol

metacyc.compound:CPD-16666
metacycM:CPD-16666
seed.compound:cpd34734
seedM:cpd34734
MSKFOQCDNOFJAT-VCRXIKTMSA-N 		cyclooctatin

seedM:M_cpd34734 		secondary/obsolete/fantasy identifier