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

*Links on SpectraBase are not permalinks.
(6Z)-9,10-SECO-25-HYDROXY-CHOLESTA-5(10),6,8-TRIENE-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 3PnUvwRL4I5
InChI InChI=1S/C26H40O3/c1-18(8-6-15-25(3,4)28)22-12-13-23-21(9-7-16-26(22,23)5)11-10-20-14-17-29-24(27)19(20)2/h9-11,18,22-23,28H,6-8,12-17H2,1-5H3/b11-10-/t18-,22-,23?,26-/m1/s1
InChIKey YUOFNZGTQATKHR-LBDKPVRBSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 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 D7lU87beaoB
Name (6Z)-9,10-SECO-25-HYDROXY-CHOLESTA-5(10),6,8-TRIENE-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
CAS Registry Number 113490-35-0
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-18(8-6-15-25(3,4)28)22-12-13-23-21(9-7-16-26(22,23)5)11-10-20-14-17-29-24(27)19(20)2/h9-11,18,22-23,28H,6-8,12-17H2,1-5H3/b11-10-/t18-,22-,23?,26-/m1/s1
InChIKey YUOFNZGTQATKHR-LBDKPVRBSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 400.602 g/mol
Solvent CDCl3
Source File Reference UWWR5088