| SpectraBase Spectrum ID |
Bb6B1F4gKFe |
| Name |
Ethyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O6 |
| InChI |
InChI=1S/C28H46O6/c1-6-33-25(32)10-7-16(2)20-8-9-21-26-22(15-24(31)28(20,21)5)27(4)12-11-19(34-17(3)29)13-18(27)14-23(26)30/h16,18-24,26,30-31H,6-15H2,1-5H3/t16?,18?,19-,20?,21?,22?,23-,24+,26?,27?,28?/m1/s1 |
| InChIKey |
NDTVWDUPTHQSNI-PQGGYZLBSA-N |
| Molecular Weight |
478.670 g/mol |
| SMILES |
O[C@@]1(C2(C(C3[C@@](CC4C(C3C1)(CC[C@](C4)(OC(=O)C)[H])C)(O)[H])CCC2C(CCC(=O)OCC)C)C)[H] |
| SPLASH |
splash10-01qc-0007900000-c961043268674b325066 |
| Source of Spectrum |
G-61-1075-2 |
| Synonyms |
(3alpha,7alpha,12alpha)-24-ethoxy-7,12-dihydroxy-24-oxocholan-3-yl acetate |
| Wiley ID |
749154 |
