| SpectraBase Spectrum ID |
7MCqXP5JTlL |
| Name |
Butyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O6 |
| InChI |
InChI=1S/C30H50O6/c1-6-7-14-35-27(34)11-8-18(2)22-9-10-23-28-24(17-26(33)30(22,23)5)29(4)13-12-21(36-19(3)31)15-20(29)16-25(28)32/h18,20-26,28,32-33H,6-17H2,1-5H3/t18?,20?,21-,22?,23+,24?,25-,26+,28?,29?,30?/m1/s1 |
| InChIKey |
DTKANFGMNQVCLL-WXFHGUFRSA-N |
| Molecular Weight |
506.724 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)OCCCC)C)[H])C)[H] |
| SPLASH |
splash10-03ki-0000900000-cc775d4a7ac00f27ee3e |
| Source of Spectrum |
G-61-1075-2 |
| Synonyms |
(3alpha,7alpha,12alpha)-24-butoxy-7,12-dihydroxy-24-oxocholan-3-yl acetate |
| Wiley ID |
749152 |
