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

*Links on SpectraBase are not permalinks.

(10-S)-2-CHLOLESTEN-1,4,6-TRIONE

View entire compound with spectra: 1 NMR

(10-S)-2-CHLOLESTEN-1,4,6-TRIONE
SpectraBase Compound ID 5eMiw9S0gtL
InChI InChI=1S/C27H40O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)25-22(28)11-12-24(30)27(25,5)21(18)13-14-26(19,20)4/h11-12,16-21,25H,6-10,13-15H2,1-5H3/t17-,18+,19-,20+,21+,25-,26-,27-/m1/s1
InChIKey HKIVPLQCZZUYDM-XAFBBZGWSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 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 8nAoy9mXRxa
Name (10-S)-2-CHLOLESTEN-1,4,6-TRIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)25-22(28)11-12-24(30)27(25,5)21(18)13-14-26(19,20)4/h11-12,16-21,25H,6-10,13-15H2,1-5H3/t17-,18+,19-,20+,21+,25-,26-,27-/m1/s1
InChIKey HKIVPLQCZZUYDM-XAFBBZGWSA-N
Literature Reference Author H.PENG,W.XIE,D.M.OTTERNESS,J.P.COGSWELL,R.T.M.CONNELL,H.L.CA RTER,G.POWIS,R.T.ABR
Literature Reference Citation J.MED.CHEM.,44,834(2001)
Literature Reference DOI 10.1021/jm0004401
Molecular Weight 412.613 g/mol
Sample ID 40867
Solvent CDCl3