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

*Links on SpectraBase are not permalinks.
3ALPHA,6ALPHA-DIACETOXY-22-IODO-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
SpectraBase Compound ID 9DAK6W7m4ds
InChI InChI=1S/C31H42F9IO4/c1-15(24(41)14-28(32,33)29(34,35)30(36,37)31(38,39)40)20-6-7-21-19-13-25(45-17(3)43)23-12-18(44-16(2)42)8-10-27(23,5)22(19)9-11-26(20,21)4/h15,18-25H,6-14H2,1-5H3/t15-,18+,19?,20+,21?,22?,23-,24?,25-,26+,27+/m1/s1
InChIKey RVKNXSOFAISIAP-ZJKPJXAZSA-N
Mol Weight 776.6 g/mol
Molecular Formula C31H42F9IO4
Exact Mass 776.198408 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F 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 LFLAJAaabU6
Name 3ALPHA,6ALPHA-DIACETOXY-22-IODO-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
Comments EXTERNAL STANDARD - CF3COOH (76.8 FROM CFCL3). SCALE INVERTED. -118.7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H42F9IO4
InChI InChI=1S/C31H42F9IO4/c1-15(24(41)14-28(32,33)29(34,35)30(36,37)31(38,39)40)20-6-7-21-19-13-25(45-17(3)43)23-12-18(44-16(2)42)8-10-27(23,5)22(19)9-11-26(20,21)4/h15,18-25H,6-14H2,1-5H3/t15-,18+,19?,20+,21?,22?,23-,24?,25-,26+,27+/m1/s1
InChIKey RVKNXSOFAISIAP-ZJKPJXAZSA-N
Instrument Name Varian EM-360
Literature Reference WEI-YUAN HUANG, LI-QING HU, WEN-ZHE GE (1989) J.Fluor.Chem.: v.43, N3, 305-318.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported