| SpectraBase Spectrum ID |
1bdfZVpk6Ic |
| Name |
3-ALPHA,20-BETA-DIHYDROXY-5-BETA-PREGNANE |
| CAS Registry Number |
80-91-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
YWYQTGBBEZQBGO-BERLURQNSA-N |
| Molecular Weight |
320.517 g/mol |
| Nominal Mass |
320 u |
| Number of Peaks |
262 |
| SMILES |
O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H] |
| SPLASH |
splash10-015d-9760000000-96151de39e39f6788c7a |
| Source File Reference |
LMCM-11620-176S |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
5-BETA-PREGNANE, 3-ALPHA,20-BETA-DIHYDROXY-
(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol |
| Wiley ID |
8_39889 |
