| SpectraBase Spectrum ID |
I7FKC0Ph1Kj |
| Name |
PREGN-5-ENE-3.BETA.,20.BETA.-DIOL |
| CAS Registry Number |
901-57-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/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/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1 |
| InChIKey |
QAAQQTDJEXMIMF-NFJVIFTASA-N |
| Molecular Weight |
318.501 g/mol |
| Nominal Mass |
318 u |
| Number of Peaks |
271 |
| SMILES |
O[C@@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)[H])(C)[H] |
| SPLASH |
splash10-052g-6931000000-8998a68f6f345dd294f6 |
| Source File Reference |
LMCM-58765-557Q |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
3.BETA.,20.BETA.-DIHYDROXY-PREGN-5-ENE
PREGN-5-ENE-3,20-DIOL
(20R)-PREGN-5-ENE-3BETA,20-DIOL
(1S,2R,5S,10S,11S,14S,15S)-14-[(1R)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol |
| Wiley ID |
8_39887 |
