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

*Links on SpectraBase are not permalinks.

PODECDYSONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE;(20-R,22-R)-2-BETA,3-BETA-20,22-O-ISOPROPYLIDENE-25-TRIFLUOROACETOXY-5-BETA-CHOLESTA-8,14-DIEN-6

View entire compound with spectra: 1 NMR

PODECDYSONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE;(20-R,22-R)-2-BETA,3-BETA-20,22-O-ISOPROPYLIDENE-25-TRIFLUOROACETOXY-5-BETA-CHOLESTA-8,14-DIEN-6
SpectraBase Compound ID 2ejvUU04Ti6
InChI InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,20,22-25,37-38H,9-16H2,1-7H3/t20-,22+,23-,24-,25+,29-,30+,31-/m0/s1
InChIKey VMJNVPKJNVJNLZ-AZFLPPPTSA-N
Mol Weight 598.7 g/mol
Molecular Formula C32H45F3O7
Exact Mass 598.311738 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 8C4CxL80P7U
Name PODECDYSONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE;(20-R,22-R)-2-BETA,3-BETA-20,22-O-ISOPROPYLIDENE-25-TRIFLUOROACETOXY-5-BETA-CHOLESTA-8,14-DIEN-6
Compound Number IX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H45F3O7
InChI InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,20,22-25,37-38H,9-16H2,1-7H3/t20-,22+,23-,24-,25+,29-,30+,31-/m0/s1
InChIKey VMJNVPKJNVJNLZ-AZFLPPPTSA-N
Literature Reference Author V.N.ODINOKOV,I.V.GALYAUTDINOV,D.V.NEDOPEKIN,N.A.VESKINA,L.M. KHALILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,952(2003)
Literature Reference DOI 10.1023/B:RUJO.0000003183.84168.79
Molecular Weight 598.700 g/mol
Solvent CDCl3
Source File Reference UWMZ21588