| SpectraBase Spectrum ID |
2To7BAErNTG |
| Name |
5.BETA.-PREGNAN-3.ALPHA.,11.BETA.,17.ALPHA.,20.ALPHA.-TETROL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17-,18+,19-,20-,21-/m0/s1 |
| InChIKey |
CQRHDJNAPDZBCN-ZCXVUIRUSA-N |
| Molecular Weight |
352.515 g/mol |
| Nominal Mass |
352 u |
| Number of Peaks |
97 |
| SMILES |
O[C@]([C@]1(CC[C@]2([C@@]3(CC[C@@]4(C[C@@](CC[C@@]4([C@]3([C@](C[C@]12C)(O)[H])[H])C)(O)[H])[H])[H])[H])O)(C)[H] |
| SPLASH |
splash10-05g0-4592000000-abf8bcb679bc0b8b0692 |
| Source File Reference |
LMCM-60233-163Q |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,11,17,20-TETROL
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol |
| Wiley ID |
4_227 |
