| SpectraBase Spectrum ID |
7pugg1sZ0A3 |
| Name |
3.ALPHA.,11.BETA.,21-TRIHYDROXY-5.ALPHA.-PREGNAN-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey |
RHQQHZQUAMFINJ-NZTKVECHSA-N |
| Molecular Weight |
350.499 g/mol |
| Nominal Mass |
350 u |
| Number of Peaks |
50 |
| SMILES |
OCC([C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CC[C@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])(O)[H])C)[H])=O |
| SPLASH |
splash10-066r-7639000000-b1e70dc1fa30acea8a24 |
| Source File Reference |
LMCM-34908-309V |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,11,21-TRIHYDROXYPREGNAN-20-ONE
1-((3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone |
| Wiley ID |
4_343 |
