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27-nor-22R-hydroxy-5alpha-cholestan-3,6-dione

PropertiesImage
MNX_IDMNXM27788 Image of MNXM27788
referencechebi:187677
formulaC26H42O3
global charge0
mol weight402.619
InChIKeyXZSOHMWSWMSLPQ-GPYRGFSRSA-N
InChIInChI=1S/C26H42O3/c1-5-6-7-23(28)16(2)19-8-9-20-18-15-24(29)22-14-17(27)10-12-26(22,4)21(18)11-13-25(19,20)3/h16,18-23,28H,5-15H2,1-4H3/t16-,18-,19+,20-,21-,22+,23+,25+,26+/m0/s1
SMILESCCCC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H42O3/c1-5-6-7-23(28)16(2)19-8-9-20-18-15-24(29)22-14-17(27)10-12-26(22,4)21(18)11-13-25(19,20)3/h16,18-23,28H,5-15H2,1-4H3/t16-,18-,19+,20-,21-,22+,23+,25+,26+/m0/s1 Image of MNXM27788
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][C@H:23]([C@@H:16]([CH3:2])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@@H:18]3[CH2:15][C:24](=[O:29])[C@H:22]4[CH2:14][C:17](=[O:27])[CH2:10][CH2:12][C@:26]4([CH3:4])[C@H:21]3[CH2:11][CH2:13][C@:25]12[CH3:3])[OH:28]
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:187677
chebi:187677
XZSOHMWSWMSLPQ-GPYRGFSRSA-N 		27-nor-22R-hydroxy-5alpha-cholestan-3,6-dione
(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxyheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

lipidmaps:LMST01010334
lipidmapsM:LMST01010334
XZSOHMWSWMSLPQ-GPYRGFSRSA-N 		27-nor-22R-hydroxy-5alpha-cholestan-3,6-dione
O3
ST 26:2