| SpectraBase Spectrum ID |
7GopXsKnc9 |
| Name |
5.ALPHA.-ANDROSTANE-3.BETA.,7.ALPHA.-DIOL-17-ONE |
| CAS Registry Number |
25848-68-4 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,17+,18+,19+/m1/s1 |
| InChIKey |
VFPMCLQMAUVEHD-KMQZSKAMSA-N |
| Molecular Weight |
306.446 g/mol |
| Nominal Mass |
306 u |
| Number of Peaks |
156 |
| SMILES |
O[C@]1([C@]2([C@@]3(CCC([C@]3(CC[C@@]2([C@]2(CC[C@@](C[C@@]2(C1)[H])(O)[H])C)[H])C)=O)[H])[H])[H] |
| SPLASH |
splash10-0a4l-7961000000-9a103c39649ccce3c1fe |
| Source File Reference |
LMCM-45657-818G |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,7-DIHYDROXYANDROSTAN-17-ONE
(3S,5R,7R,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one |
| Wiley ID |
4_2890 |
