| SpectraBase Spectrum ID |
HlobaI4g7kQ |
| Name |
21-Acetyloxy-1-.alpha.,2-.alpha.-epoxy-20-methyl-5-.alpha.-pregnan-3-one |
| Alternate Name(s) |
2-[(2aR,3aR,3bS,3cS,5aS,6R,8aS,8bS,10aS)-3b,5a-dimethyl-2-oxohexadecahydro-1H-cyclopenta[7,8]phenanthro[3,4-b]oxiren-6-yl]propyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O4 |
| InChI |
InChI=1S/C24H36O4/c1-13(12-27-14(2)25)17-7-8-18-16-6-5-15-11-20(26)21-22(28-21)24(15,4)19(16)9-10-23(17,18)3/h13,15-19,21-22H,5-12H2,1-4H3/t13?,15-,16-,17+,18-,19-,21-,22-,23+,24-/m0/s1 |
| InChIKey |
SYHARYZHMFTNKZ-MTFAZKBVSA-N |
| Molecular Weight |
388.548 g/mol |
| SMILES |
[C@]12([C@](C(=O)C[C@]3([C@]2([C@@]2([C@@]([C@@]4(CC[C@@]([C@]4(CC2)C)(C(COC(=O)C)C)[H])[H])([H])CC3)[H])C)[H])(O1)[H])[H] |
| SPLASH |
splash10-000i-0009000000-c6323af66e458c6113e9 |
| Source of Spectrum |
Y-30-1637-9 |
| Wiley ID |
761307 |
