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beta-sitostenone

MNXM103173 is deprecated and here replaced by MNXM1370926
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370926 Image of MNXM1370926
referencechebi:68105
formulaC29H48O
global charge0
mol weight412.702
InChIKeyRUVUHIUYGJBLGI-XJZKHKOHSA-N
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 Image of MNXM1370926
SMILES (mnx)[CH3:1][CH2:7][C@H:21]([CH2:9][CH2:8][C@@H:20]([CH3:4])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C@@H:24]3[CH2:11][CH2:10][C:22]4=[CH:18][C:23](=[O:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6])[CH:19]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68105
chebi:68105
RUVUHIUYGJBLGI-XJZKHKOHSA-N 		beta-sitostenone
Stigmast-4-en-3-one

metacyc.compound:CPD-13794
metacycM:CPD-13794
seed.compound:cpd24046
seedM:cpd24046
RUVUHIUYGJBLGI-XJZKHKOHSA-N 		3-oxo-24-ethyl-cholest-4-ene

lipidmaps:LMST01040249
lipidmapsM:LMST01040249
RUVUHIUYGJBLGI-XJZKHKOHSA-N 		beta-Sitostenone
(2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
O
ST 29:2

seedM:M_cpd24046 		secondary/obsolete/fantasy identifier