| SpectraBase Spectrum ID |
D4wKKCFPotB |
| Name |
(3.alpha.,5.beta.,7.alpha.)-3,7-Bis(acetyloxy)pregnane-12,20-dione |
| Alternate Name(s) |
(3alpha,5beta,7alpha)-3-(acetyloxy)-12,20-dioxopregnan-7-yl acetate |
| CAS Registry Number |
72050-00-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O6 |
| InChI |
InChI=1S/C25H36O6/c1-13(26)18-6-7-19-23-20(12-22(29)25(18,19)5)24(4)9-8-17(30-14(2)27)10-16(24)11-21(23)31-15(3)28/h16-21,23H,6-12H2,1-5H3/t16-,17+,18+,19-,20-,21+,23-,24-,25+/m0/s1 |
| InChIKey |
WTKALQNBKZHPKT-PGVYQBHQSA-N |
| Molecular Weight |
432.557 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH |
splash10-0301-0096100000-e457a84a7c9dc749167a |
| Source of Spectrum |
J-45-340-0 |
| Wiley ID |
1382362 |
