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9-oxo-9,11-seco-campest-5-en-3beta,11-diol

PropertiesImage
MNX_IDMNXM26757 Image of MNXM26757
referencechebi:173195
formulaC28H48O3
global charge0
mol weight432.689
InChIKeyIWHGIUPHPWHJHD-LCGGPHJGSA-N
InChIInChI=1S/C28H48O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18-20,22-25,29-30H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,27+,28-/m1/s1
SMILESCC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO
MNX internals
InChI (mnx)InChI=1/C28H48O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18-20,22-25,29-30H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,27+,28-/m1/s1 Image of MNXM26757
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@H:19]([CH3:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@@H:25]([C@@H:23]2[CH2:10][CH:9]=[C:21]3[CH2:17][C@@H:22]([OH:30])[CH2:13][CH2:14][C@:27]3([CH3:5])[C:26]2=[O:31])[C@:28]1([CH3:6])[CH2:15][CH2:16][OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173195
chebi:173195
IWHGIUPHPWHJHD-LCGGPHJGSA-N 		9-oxo-9,11-seco-campest-5-en-3beta,11-diol
(2S,6S,8aS)-2-[(1S,2R,3R)-3-[(2R,5R)-5,6-dimethylheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one

lipidmaps:LMST01031069
lipidmapsM:LMST01031069
IWHGIUPHPWHJHD-LCGGPHJGSA-N 		9-oxo-9,11-seco-campest-5-en-3beta,11-diol
O3
ST 28:1