| SpectraBase Spectrum ID |
1SoP7ENwBbO |
| Name |
5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL-16-ONE-3.ALPHA.,17.BETA.-DI-ACETATE |
| CAS Registry Number |
49644-49-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.240624190 u |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-13(24)27-16-7-9-22(3)15(11-16)5-6-17-18(22)8-10-23(4)19(17)12-20(26)21(23)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15-,16+,17+,18-,19-,21-,22-,23-/m0/s1 |
| InChIKey |
FXIBWMJBQIDNKR-KJFOBWACSA-N |
| Molecular Weight |
390.520 g/mol |
| Nominal Mass |
390 u |
| Number of Peaks |
136 |
| SMILES |
[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](C(C[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)(OC(C)=O)[H])C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-00m0-2294000000-e5f0b062093322267c56 |
| Source File Reference |
LMCM-38301-293R |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)-16-OXOANDROSTAN-3-YL ACETATE
(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-16-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_2725 |
