| SpectraBase Spectrum ID |
vyW8BR1gKl |
| Name |
3.BETA.,5,6.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTAN-17-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-17-7-6-14-12(13(17)3-4-15(17)21)9-16(22)19(23)10-11(20)5-8-18(14,19)2/h11-14,16,20,22-23H,3-10H2,1-2H3/t11-,12-,13-,14-,16+,17-,18+,19-/m0/s1 |
| InChIKey |
FRPCYGNWEDESDG-LYVQZGCSSA-N |
| Molecular Weight |
322.445 g/mol |
| Nominal Mass |
322 u |
| Number of Peaks |
170 |
| SMILES |
O[C@@]12[C@@](C[C@]3([C@@]4(CCC([C@]4(CC[C@@]3([C@]1(CC[C@@](C2)(O)[H])C)[H])C)=O)[H])[H])(O)[H] |
| SPLASH |
splash10-006x-9851000000-55487d4d975374d0274a |
| Source File Reference |
LMCM-71966-850Y |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,5,6-TRIHYDROXYANDROSTAN-17-ONE
(3S,5R,6R,8R,9S,10R,13S,14S)-3,5,6-trihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one |
| Wiley ID |
4_460 |
