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3-Hydroxystigmast-5-en-7-one

PropertiesImage
MNX_IDMNXM28982 Image of MNXM28982
referencechebi:177122
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyICFXJOAKQGDRCT-ZIHMWMKCSA-N
InChIInChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1 Image of MNXM28982
SMILES (mnx)[CH3:1][CH2:7][C@H:20]([CH2:9][CH2:8][C@@H:19]([CH3:4])[C@H:23]1[CH2:10][CH2:11][C@H:24]2[C@H:27]3[C@H:25]([CH2:13][CH2:15][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:14][CH2:12][C@H:22]([OH:30])[CH2:16][C:21]1=[CH:17][C:26]3=[O:31])[CH:18]([CH3:2])[CH3:3]
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:177122
chebi:177122
ICFXJOAKQGDRCT-ZIHMWMKCSA-N 		3-Hydroxystigmast-5-en-7-one
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
hmdb:HMDB0034422
ICFXJOAKQGDRCT-UHFFFAOYSA-N 		3-Hydroxystigmast-5-en-7-one
14-(5-ethyl-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-one
3-Hydroxy-(3beta)-stigmast-5-en-7-one
7-oxo-b-Sitosterol
7-oxo-beta-Sitosterol

lipidmaps:LMST01040169
lipidmapsM:LMST01040169
ICFXJOAKQGDRCT-ZIHMWMKCSA-N 		3beta-hydroxy-stigmast-5-en-7-one
O2
ST 29:2

hmdb:HMDB34422 		secondary/obsolete/fantasy identifier