| SpectraBase Spectrum ID |
3N6snIizmTq |
| Name |
ANDROST-4-ENE-6.BETA.,17.BETA.-DIOL-3-ONE |
| CAS Registry Number |
62-99-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 |
| InChIKey |
XSEGWEUVSZRCBC-ZVBLRVHNSA-N |
| Molecular Weight |
304.430 g/mol |
| Nominal Mass |
304 u |
| Number of Peaks |
158 |
| SMILES |
O[C@@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CCC(C=C12)=O)C)[H])C)(O)[H])[H])[H])[H] |
| SPLASH |
splash10-0ufu-8973000000-1b2d25ac6d0e57b2471a |
| Source File Reference |
LMCM-12472-011A |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
6,17-DIHYDROXYANDROST-4-EN-3-ONE
(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_2398 |
