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cholesta-5,7-dien-3beta,4alpha-diol

PropertiesImage
MNX_IDMNXM101997 Image of MNXM101997
referencechebi:172985
formulaC27H44O2
global charge0
mol weight400.647
InChIKeyARJBYZCJCNTGQM-XQCWDQNDSA-N
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h9-10,17-18,20-22,24-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h9-10,17-18,20-22,24-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-,27-/m1/s1 Image of MNXM101997
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:11][CH2:12][C@H:21]2[C:19]3=[CH:9][CH:10]=[C:23]4[C@H:25]([OH:29])[C@@H:24]([OH:28])[CH2:14][CH2:16][C@:27]4([CH3:5])[C@H:22]3[CH2:13][CH2:15][C@:26]12[CH3:4]
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:172985
chebi:172985
ARJBYZCJCNTGQM-XQCWDQNDSA-N 		cholesta-5,7-dien-3beta,4alpha-diol
(3S,4S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

lipidmaps:LMST01010355
lipidmapsM:LMST01010355
ARJBYZCJCNTGQM-XQCWDQNDSA-N 		4alpha-OH-7-DHC
O2
ST 27:2
cholesta-5,7-dien-3beta,4alpha-diol