| SpectraBase Spectrum ID |
6doBLZYw3Z3 |
| Name |
5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL-6-ONE |
| CAS Registry Number |
49644-08-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,17+,18-,19+/m1/s1 |
| InChIKey |
PBLALJOWRGPTAX-XUGNFZLMSA-N |
| Molecular Weight |
306.446 g/mol |
| Nominal Mass |
306 u |
| Number of Peaks |
155 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@@]4(C(C[C@]3([C@@]2(CC1)[H])[H])=O)[H])(O)[H])C)[H])C)[H] |
| SPLASH |
splash10-0a4m-9764000000-8e7d0b470542c0ac0c0c |
| Source File Reference |
LMCM-54728-813X |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,17-DIHYDROXYANDROSTAN-6-ONE
(3R,5S,8R,9S,10R,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one |
| Wiley ID |
4_2763 |
