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

*Links on SpectraBase are not permalinks.
3α-hydroxy-5β-pregnan-20-one, cyclic ethylene mercaptole, acetate
SpectraBase Compound ID 6NGTJZM2KKL
InChI InChI=1S/C25H40O2S2/c1-16(26)27-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)28-13-14-29-25)24(20,3)12-10-21(19)23/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey IFYPJEMHWPXTDC-HIOAPMMISA-N
Mol Weight 436.7 g/mol
Molecular Formula C25H40O2S2
Exact Mass 436.246973 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H 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 6wD0fb1x8RM
Name 3α-hydroxy-5β-pregnan-20-one, cyclic ethylene mercaptole, acetate
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2S2
InChI InChI=1S/C25H40O2S2/c1-16(26)27-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)28-13-14-29-25)24(20,3)12-10-21(19)23/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey IFYPJEMHWPXTDC-HIOAPMMISA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 41652M
Solvent CDCl3