| SpectraBase Spectrum ID |
2lAFFjg7atM |
| Name |
Pregnan-20-one,3-(acetyloxy)-,(3-alpha,5-beta)- |
| CAS Registry Number |
1491-77-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23-/m1/s1 |
| InChIKey |
GFHOQCXDABGYAL-LEQCJQSISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
360.538 g/mol |
| Nominal Mass |
360 u |
| Quality |
967 |
| Retention Index |
2705 |
| SMILES |
[C@]12([C@@]([C@@]3([C@](CC2)(C[C@@](CC3)(OC(=O)C)[H])[H])C)(CC[C@]2([C@]1(CC[C@@]2(C(=O)C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-0006-9641000000-b04fbc21b22fe3d27fb6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethylhexadecahydro-1H-cyclopenta-\r[a]phenanthren-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033104 |
