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(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one

PropertiesImage
MNX_IDMNXM115079 Image of MNXM115079
referencechebi:171899
formulaC29H50O4
global charge0
mol weight462.715
InChIKeyDYENWMUXSKPFLC-UHFFFAOYSA-N
InChIInChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3
SMILESCCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
MNX internals
InChI (mnx)InChI=1/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29? Image of MNXM115079
SMILES (mnx)[CH3:1][CH2:7][CH:19]([CH:16]([CH3:2])[CH3:3])[CH:27]([CH:26]([CH:17]([CH3:4])[CH:21]1[CH2:8][CH2:9][CH:22]2[CH:20]3[CH2:15][C:25](=[O:31])[CH:24]4[CH2:14][CH:18]([OH:30])[CH2:10][CH2:12][C:29]4([CH3:6])[CH:23]3[CH2:11][CH2:13][C:28]12[CH3:5])[OH:32])[OH:33]
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:171899
chebi:171899
DYENWMUXSKPFLC-UHFFFAOYSA-N 		(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
17-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
hmdb:HMDB0039713
DYENWMUXSKPFLC-UHFFFAOYSA-N 		(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
(3b,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
(3beta,22R,23R,24S)-3,22,23-trihydroxystigmastan-6-one
14-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
28-Homoteasterone

hmdb:HMDB39713 		secondary/obsolete/fantasy identifier