| SpectraBase Spectrum ID |
6efpbVIkIRd |
| Name |
(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER |
| Compound Number |
4A |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C32H44O5 |
| InChI |
InChI=1S/C32H44O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,20,22,24-28H,10-19H2,1-4H3/t20-,22-,24+,25-,26+,27+,28+,31+,32-/m1/s1 |
| InChIKey |
XVZWWWVBBJHTJM-SDPUYNCSSA-N |
| Literature Reference Author |
G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY |
| Literature Reference Citation |
J.ORG.CHEM.,67,6764(2002) |
| Literature Reference DOI |
10.1021/jo0259109 |
| Molecular Weight |
508.698 g/mol |
| Solvent |
CDCl3 |
| Source File Reference |
UWSI22092 |
