| SpectraBase Spectrum ID |
J4ZcWe7zen0 |
| Name |
Cholan-24-oic acid, 7,12-bis(acetyloxy)-3-hydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| Alternate Name(s) |
(3alpha,7alpha,12alpha)-3-(acetyloxy)-12-hydroxy-24-methoxy-24-oxocholan-7-yl acetate
3.alpha.,7.alpha.-diacetoxy-12.alpha.-hydroxypregnane-20-propanoic acid methyl ester |
| CAS Registry Number |
69889-89-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O7 |
| InChI |
InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16?,19?,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1 |
| InChIKey |
VKXXPYARELKQOY-YQQOORDKSA-N |
| Molecular Weight |
506.680 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C1)[H])(CC[C@@](OC(=O)C)(C4)[H])C)(OC(=O)C)[H])[H])(CC[C@@]2(C(CCC(=O)OC)C)[H])[H])C)[H] |
| SPLASH |
splash10-0w29-0094100000-7da5fc6ee8fc4eb9b8d2 |
| Source of Spectrum |
O-13-405-1 |
| Wiley ID |
1399883 |
