| SpectraBase Spectrum ID |
5VV5Y4OQnxo |
| Name |
5.ALPHA.-ANDROSTAN-17.BETA.-OL-3-ONE(17.BETA.-ACETATE) |
| CAS Registry Number |
1164-91-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
ILCTUFVQFCIIDS-NGFSFWIMSA-N |
| Molecular Weight |
332.484 g/mol |
| Nominal Mass |
332 u |
| Number of Peaks |
122 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(OC(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-0ac0-2390000000-43b7ed68041924e9a25d |
| Source File Reference |
LMCM-97813-006K |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-OXOANDROSTAN-17-YL ACETATE
(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate |
| Wiley ID |
4_1105 |
