| SpectraBase Spectrum ID |
JO8PiG6Qe2B |
| Name |
Methyl ester fo (3.alpha.,5.beta.,7.beta.,12.alpha.)-3,12-bis(acetyloxy)-7-chlorocholan-24-oic acid |
| Alternate Name(s) |
(3alpha,5beta,7beta,12alpha)-12-(acetyloxy)-7-chloro-24-methoxy-24-oxocholan-3-yl acetate |
| CAS Registry Number |
64219-21-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H45ClO6 |
| InChI |
InChI=1S/C29H45ClO6/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(29(21,22)5)36-18(3)32)28(4)12-11-20(35-17(2)31)13-19(28)14-24(27)30/h16,19-25,27H,7-15H2,1-6H3/t16-,19+,20-,21?,22+,23+,24+,25+,27+,28+,29-/m1/s1 |
| InChIKey |
VDOIUMPBWSROEI-BLHQDOOHSA-N |
| Molecular Weight |
525.126 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(C[C@@]2(OC(=O)C)[H])[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(Cl)[H])[H])(CCC1[C@@](CCC(=O)OC)(C)[H])[H])C |
| SPLASH |
splash10-0udi-0389300000-9f34007f37c4a8149f83 |
| Source of Spectrum |
J-45-339-0 |
| Wiley ID |
1402578 |
