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Cyperolone

PropertiesImage
MNX_IDMNXM48270 Image of MNXM48270
referencechebi:80814
formulaC15H24O2
global charge0
mol weight236.355
InChIKeyYALFFHSIVPCNLF-QPSCCSFWSA-N
InChIInChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3/t12-,13+,14+,15+/m1/s1
SMILESC=C(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)[C@@]2(C(C)=O)C1
MNX internals
InChI (mnx)InChI=1/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3/t12-,13+,14+,15+/m1/s1 Image of MNXM48270
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[C@@H:12]1[CH2:5][CH2:7][C@@:14]2([CH3:4])[CH2:8][CH2:6][C@H:13]([OH:17])[C@@:15]2([C:11]([CH3:3])=[O:16])[CH2:9]1
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

seed.compound:cpd17219
seedM:cpd17219
CHEBI:80814
chebi:80814
kegg.compound:C16946
keggC:C16946
YALFFHSIVPCNLF-QPSCCSFWSA-N 		Cyperolone
hmdb:HMDB0036680
YALFFHSIVPCNLF-UHFFFAOYSA-N 		Cyperolone
1-[3-hydroxy-7a-methyl-5-(prop-1-en-2-yl)-hexahydro-1H-inden-3a-yl]ethanone
1-[3-hydroxy-7a-methyl-5-(prop-1-en-2-yl)-octahydro-1H-inden-3a-yl]ethan-1-one

hmdb:HMDB36680
keggC:M_C16946
seedM:M_cpd17219 		secondary/obsolete/fantasy identifier