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

*Links on SpectraBase are not permalinks.

METHYL-3-ALPHA-ACETYLOXY-7-ALPHA,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE

View entire compound with spectra: 1 NMR

METHYL-3-ALPHA-ACETYLOXY-7-ALPHA,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID IPE1oxoBTP
InChI InChI=1S/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(33-16(2)28)12-17(26)13-22(25)29/h15,17-23,25,29-30H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey RYUNWMNMODIREU-FZMDYVDPSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 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 3jYaPRTAdVq
Name METHYL-3-ALPHA-ACETYLOXY-7-ALPHA,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(33-16(2)28)12-17(26)13-22(25)29/h15,17-23,25,29-30H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey RYUNWMNMODIREU-FZMDYVDPSA-N
Literature Reference Author K.LAPPALAINEN,E.KOLEHMAINEN,M.KAARTINEN,R.KAUPPINEN,R.SEPPAE LAE,V.VATANEN
Literature Reference Citation MAGN.RES.CHEM.,32,786(1994)
Literature Reference DOI 10.1002/mrc.1260321213
Molecular Weight 464.643 g/mol
Solvent CDCl3
Source File Reference UWGE157