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

*Links on SpectraBase are not permalinks.
3-.alpha.-Chloro-,17.beta.-hydroxy-5-aza-A-nor-B-homoandrostan-6-one Benzoate
SpectraBase Compound ID Jzeyxh93kj2
InChI InChI=1S/C26H34ClNO3/c1-25-14-13-21-19(8-11-23(29)28-16-18(27)12-15-26(21,28)2)20(25)9-10-22(25)31-24(30)17-6-4-3-5-7-17/h3-7,18-22H,8-16H2,1-2H3/t18-,19?,20?,21?,22+,25+,26-/m1/s1
InChIKey JMOYAXTUPXYAGV-PYQLQCGDSA-N
Mol Weight 444.0 g/mol
Molecular Formula C26H34ClNO3
Exact Mass 443.222722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6eZr27Uj85r
Name 3-.alpha.-Chloro-,17.beta.-hydroxy-5-aza-A-nor-B-homoandrostan-6-one Benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34ClNO3
InChI InChI=1S/C26H34ClNO3/c1-25-14-13-21-19(8-11-23(29)28-16-18(27)12-15-26(21,28)2)20(25)9-10-22(25)31-24(30)17-6-4-3-5-7-17/h3-7,18-22H,8-16H2,1-2H3/t18-,19?,20?,21?,22+,25+,26-/m1/s1
InChIKey JMOYAXTUPXYAGV-PYQLQCGDSA-N
Molecular Weight 444.015 g/mol
SMILES [C@]12(N(C(CCC3C2CC[C@@]2([C@](CCC32)(OC(=O)c2ccccc2)[H])C)=O)C[C@@](CC1)(Cl)[H])C
SPLASH splash10-0a4i-0902300000-7b172000363cc3c69c38
Source of Spectrum J-57-4120-19
Wiley ID 1385760