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

*Links on SpectraBase are not permalinks.
(SYN)-17-BETA-HYDROXY-17-ALPHA-PREGNA-4,6-DIEN-21-CARBOXYLIC-ACID-GAMMA-LACTONE-3-O-BENZYLOXIME
SpectraBase Compound ID BRs3a0eQ7kb
InChI InChI=1S/C29H35NO3/c1-27-14-10-22(30-32-19-20-6-4-3-5-7-20)18-21(27)8-9-23-24(27)11-15-28(2)25(23)12-16-29(28)17-13-26(31)33-29/h3-9,18,23-25H,10-17,19H2,1-2H3/b30-22-/t23-,24+,25+,27+,28+,29-/m1/s1
InChIKey LBIIALPSOMVSTP-ZZYYJQESSA-N
Mol Weight 445.6 g/mol
Molecular Formula C29H35NO3
Exact Mass 445.261694 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 8g1GnrA5k9Q
Name (SYN)-17-BETA-HYDROXY-17-ALPHA-PREGNA-4,6-DIEN-21-CARBOXYLIC-ACID-GAMMA-LACTONE-3-O-BENZYLOXIME
Compound Number 13S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35NO3
InChI InChI=1S/C29H35NO3/c1-27-14-10-22(30-32-19-20-6-4-3-5-7-20)18-21(27)8-9-23-24(27)11-15-28(2)25(23)12-16-29(28)17-13-26(31)33-29/h3-9,18,23-25H,10-17,19H2,1-2H3/b30-22-/t23-,24+,25+,27+,28+,29-/m1/s1
InChIKey LBIIALPSOMVSTP-ZZYYJQESSA-N
Literature Reference Author P.SOHAR,A.BODOR,R.SCHWARTZ
Literature Reference Citation STEROIDS,64,246(1999)
Literature Reference DOI 10.1016/s0039-128x(98)00111-1
Molecular Weight 445.602 g/mol
Sample ID 968665
Solvent CDCl3