| SpectraBase Spectrum ID |
1Jepg3Y8WNO |
| Name |
3.BETA.,16.ALPHA.-DIHYDROXY-5.ALPHA.-PREGNAN-20-ONE |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1 |
| InChIKey |
FGDFFHLIMDMCJI-KWHXHVTNSA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
102 |
| SMILES |
O[C@]1([C@@]([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(C1)[H])[H])[H])(O)[H])C)[H])C)(C(C)=O)[H])[H] |
| SPLASH |
splash10-0f6x-9822000000-b20248c623c828765e9d |
| Source File Reference |
LMCM-70779-781A |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,16-DIHYDROXYPREGNAN-20-ONE
1-((3S,5S,8R,9S,10S,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_338 |
