| SpectraBase Spectrum ID |
518Qbg3vlXB |
| Name |
3.ALPHA.,11.ALPHA.-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/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey |
NFVCQZNBRFPYOP-MQFJMQJISA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
135 |
| SMILES |
O[C@]1([C@@]2([C@]3(CC[C@](C[C@@]3(CC[C@]2([C@@]2(CC[C@@]([C@]2(C1)C)(C(C)=O)[H])[H])[H])[H])(O)[H])C)[H])[H] |
| SPLASH |
splash10-0006-9621000000-c4b33fdb8309b3a3042f |
| Source File Reference |
LMCM-47944-947G |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,11-DIHYDROXYPREGNAN-20-ONE
1-((3R,5S,8S,9S,10S,11R,13S,14S,17S)-3,11-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_88 |
