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(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

PropertiesImage
MNX_IDMNXM173935 Image of MNXM173935
referencechebi:94669
formulaC18H20O2
global charge0
mol weight268.356
InChIKeyWKRLQDKEXYKHJB-LESCRADOSA-N
InChIInChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18-/m0/s1
SMILESC[C@]12CC[C@@H]3C(=CCC4=C3C=CC(O)=C4)[C@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18-/m0/s1 Image of MNXM173935
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([OH:19])[CH:10]=[C:11]4[CH2:2][CH:4]=[C:15]3[C@H:16]1[CH2:6][CH2:7][C:17]2=[O:20]
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:94669
chebi:94669
WKRLQDKEXYKHJB-LESCRADOSA-N
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one