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6beta-hydroxystigmast-4-en-3-one

PropertiesImage
MNX_IDMNXM102130 Image of MNXM102130
referencechebi:69321
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyIWNCBADONFSAAW-NFVQQQKOSA-N
InChIInChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/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[C@@H](O)C4=CC(=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)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1 Image of MNXM102130
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:22]3[CH2:17][C@@H:27]([OH:31])[C:26]4=[CH:16][C:21](=[O:30])[CH2:12][CH2:14][C@:29]4([CH3:6])[C@H:25]3[CH2:13][CH2:15][C@:28]12[CH3:5])[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:69321
chebi:69321
IWNCBADONFSAAW-NFVQQQKOSA-N 		6beta-hydroxystigmast-4-en-3-one
hmdb:HMDB0039498
IWNCBADONFSAAW-UHFFFAOYSA-N 		(6beta,24R)-6-Hydroxystigmast-4-en-3-one
(6b,24R)-6-Hydroxystigmast-4-en-3-one
(6beta,24R)-6-hydroxystigmast-4-en-3-one
14-(5-ethyl-6-methylheptan-2-yl)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
Stigmast-4-en-6beta-ol-3-one

CHEBI:192029
chebi:192029
IWNCBADONFSAAW-UHFFFAOYSA-N 		(6beta,24R)-6-Hydroxystigmast-4-en-3-one
17-(5-ethyl-6-methylheptan-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
hmdb:HMDB0302853
IWNCBADONFSAAW-KJECILJDSA-N 		6beta-Hydroxystigmast-4-en-3-one
(2R,8R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
6b-Hydroxystigmast-4-en-3-one
6beta-hydroxystigmast-4-en-3-one

hmdb:HMDB39498 		secondary/obsolete/fantasy identifier