| SpectraBase Spectrum ID |
6CkeUZWcHMg |
| Name |
Cholan-24-oic acid, 7-(acetyloxy)-3-(acetyl-D3-oxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.,7.alpha.)- |
| Alternate Name(s) |
7.alpha.-acetoxy-3.alpha.-trideuteroacetoxy-12-oxopregnane-20-propanoic acid methyl ester |
| CAS Registry Number |
69889-98-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H41D3O7 |
| InChI |
InChI=1S/C29H44O7/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/h16,19-24,27H,7-15H2,1-6H3/t16?,19?,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1/i2D3 |
| InChIKey |
GVIZCQOBODPSLY-CUFFONTGSA-N |
| Molecular Weight |
507.682 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@@](CC4[C@@]([C@]3(CC2=O)[H])(CC[C@@](OC(=O)C([2D])([2D])[2D])(C4)[H])C)(OC(=O)C)[H])[H])(CC[C@@]1(C(CCC(=O)OC)C)[H])[H])C |
| SPLASH |
splash10-004m-0093200000-bba20e91cab684b9fc50 |
| Source of Spectrum |
O-13-406-2 |
| Wiley ID |
1399602 |
