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(17E)-17-[(E)-(2-chlorobenzylidene)hydrazono]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID LSv6NvcxdgN
InChI InChI=1S/C25H27ClN2O/c1-25-13-12-20-19-9-7-18(29)14-16(19)6-8-21(20)22(25)10-11-24(25)28-27-15-17-4-2-3-5-23(17)26/h2-5,7,9,14-15,20-22,29H,6,8,10-13H2,1H3/b27-15+,28-24+
InChIKey YNVCJSGLQPABDN-KVMHMJQLSA-N
Mol Weight 406.96 g/mol
Molecular Formula C25H27ClN2O
Exact Mass 406.181191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9qJagQNff4
Name (17E)-17-[(E)-(2-Chlorobenzylidene)hydrazono]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.181191196 u
Formula C25H27ClN2O
InChI InChI=1S/C25H27ClN2O/c1-25-13-12-20-19-9-7-18(29)14-16(19)6-8-21(20)22(25)10-11-24(25)28-27-15-17-4-2-3-5-23(17)26/h2-5,7,9,14-15,20-22,29H,6,8,10-13H2,1H3/b27-15+,28-24+
InChIKey YNVCJSGLQPABDN-KVMHMJQLSA-N
Molecular Weight 406.957 g/mol
SMILES C=1(C=CC2=C(CCC3C2CCC2(C3CC\C2=N\N=C\C2=C(C=CC=C2)Cl)C)C1)O