| SpectraBase Spectrum ID |
4pa6FqaZjaO |
| Name |
17-.beta.-Benzoyloxy-1-.alpha.,2-.alpha.-epoxy-5-.alpha.-androstan-3-one |
| Alternate Name(s) |
(2aR,3aR,3bS,3cS,5aS,6S,8aS,8bS,10aS)-3b,5a-dimethyl-2-oxohexadecahydro-1H-cyclopenta[7,8]phenanthro[3,4-b]oxiren-6-yl benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32O4 |
| InChI |
InChI=1S/C26H32O4/c1-25-13-12-19-17(9-8-16-14-20(27)22-23(30-22)26(16,19)2)18(25)10-11-21(25)29-24(28)15-6-4-3-5-7-15/h3-7,16-19,21-23H,8-14H2,1-2H3/t16-,17-,18-,19-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey |
OXVWHOWRBGUPHB-KBACWCPDSA-N |
| Molecular Weight |
408.538 g/mol |
| SMILES |
[C@]12([C@](C(=O)C[C@]3([C@]2([C@@]2([C@@]([C@@]4(CC[C@@]([C@]4(CC2)C)(OC(=O)c2ccccc2)[H])[H])([H])CC3)[H])C)[H])(O1)[H])[H] |
| SPLASH |
splash10-0a4r-0070900000-ac2f3150335fae4c5c52 |
| Source of Spectrum |
Y-30-1637-17 |
| Wiley ID |
761305 |
