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

*Links on SpectraBase are not permalinks.

16-Hydroxy-12,12-bis(benzenesulfonyl)-hexacos-14-en-carboxylic acid, 26-lactone

View entire compound with spectra: 1 NMR

16-Hydroxy-12,12-bis(benzenesulfonyl)-hexacos-14-en-carboxylic acid, 26-lactone
SpectraBase Compound ID 2VOD8zV5tal
InChI InChI=1S/C38H56O7S2/c39-34-24-15-9-5-2-4-8-12-22-33-45-37(40)30-20-10-6-1-3-7-11-21-31-38(32-23-25-34,46(41,42)35-26-16-13-17-27-35)47(43,44)36-28-18-14-19-29-36/h13-14,16-19,23,25-29,34,39H,1-12,15,20-22,24,30-33H2/b25-23+
InChIKey CIPIMQXXBJKUSJ-WJTDDFOZSA-N
Mol Weight 689.0 g/mol
Molecular Formula C38H56O7S2
Exact Mass 688.346746 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 FqWL7fTdsVt
Name 16-Hydroxy-12,12-bis(benzenesulfonyl)-hexacos-14-en-carboxylic acid, 26-lactone
CAS Registry Number 86471-74-1
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H56O7S2
InChI InChI=1S/C38H56O7S2/c39-34-24-15-9-5-2-4-8-12-22-33-45-37(40)30-20-10-6-1-3-7-11-21-31-38(32-23-25-34,46(41,42)35-26-16-13-17-27-35)47(43,44)36-28-18-14-19-29-36/h13-14,16-19,23,25-29,34,39H,1-12,15,20-22,24,30-33H2/b25-23+
InChIKey CIPIMQXXBJKUSJ-WJTDDFOZSA-N
Literature Reference B.M. Trost, R.W. Warner, J. Am. Chem. Soc. 105, 5940 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3