For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(16E)-16-(2-chlorobenzylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(16E)-16-(2-chlorobenzylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID Fc7DYow1GDm
InChI InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+
InChIKey XRVKATFJHJNMOP-GHRIWEEISA-N
Mol Weight 413.0 g/mol
Molecular Formula C26H33ClO2
Exact Mass 412.216908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GDgnhLSp7f1
Name (16E)-16-(2-Chlorobenzylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[A]phenanthrene-3,17-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.216908001 u
Formula C26H33ClO2
InChI InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+
InChIKey XRVKATFJHJNMOP-GHRIWEEISA-N
Molecular Weight 413.001 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC(O)C4)C)C\C(C1O)=C/C=1C(Cl)=CC=CC1)C