| SpectraBase Spectrum ID |
APRDfWTUXKY |
| Name |
3.ALPHA.,21-DIHYDROXY-5.ALPHA.-PREGNAN-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1 |
| InChIKey |
CYKYBWRSLLXBOW-GDYGHMJCSA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
45 |
| SMILES |
OCC([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])=O |
| SPLASH |
splash10-0pb9-9667000000-7d7ce45e49ea0056a876 |
| Source File Reference |
LMCM-74122-867Q |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,21-DIHYDROXYPREGNAN-20-ONE
2-hydroxy-1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_375 |
