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3-Hydroxystigmast-5-en-7-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM28982

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₉H₄₈O₂

charge

mass

428.36543

reference

chebi:177122

InChIKey

ICFXJOAKQGDRCT-ZIHMWMKCSA-N

InChI

InChI=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

SMILES

CC[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@@]21C)C(C)C

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177122 chebi:177122	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	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:LMST01040243 lipidmapsM:LMST01040243	3-Hydroxystigmast-5-en-7-one 14-(5-ethyl-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one O2 ST 29:2
lipidmaps:LMST01040169 lipidmapsM:LMST01040169	3beta-hydroxy-stigmast-5-en-7-one O2 ST 29:2
hmdb:HMDB34422	secondary/obsolete/fantasy identifier