| SpectraBase Spectrum ID |
G7KiCm6G1p7 |
| Name |
3.ALPHA.-ETHYNYL-3.BETA.,17.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
FOCZFVYLRBKYGM-QKSWPAOXSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
95 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)C#C)C)[H])C)[H] |
| SPLASH |
splash10-014l-9523000000-2c62581f4de624aae492 |
| Source File Reference |
LMCM-68117-124T |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3.ALPHA.-ETHYNYL-5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL
3-ETHYNYLANDROSTANE-3,17-DIOL
(3S,5S,8R,9S,10S,13S,14S,17S)-3-ethynyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_496 |
