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12alpha-Hydroxycholest-4-en-3-one

PropertiesImage
MNX_IDMNXM28296 Image of MNXM28296
referencechebi:186958
formulaC27H44O2
global charge0
mol weight400.647
InChIKeyVTZDBZNFJBPONO-OAKHZPDASA-N
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26+,27-/m1/s1 Image of MNXM28296
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C@@H:21]3[CH2:10][CH2:9][C:19]4=[CH:15][C:20](=[O:28])[CH2:13][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:16][C@H:25]([OH:29])[C@:27]12[CH3:5]
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:186958
chebi:186958
VTZDBZNFJBPONO-OAKHZPDASA-N 		12alpha-Hydroxycholest-4-en-3-one
(8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

lipidmaps:LMST04030124
lipidmapsM:LMST04030124
VTZDBZNFJBPONO-OAKHZPDASA-N 		12alpha-Hydroxycholest-4-en-3-one
O2
ST 27:2