| SpectraBase Spectrum ID |
FxmiR1HMVfu |
| Name |
3.BETA.,17.ALPHA.,20.BETA.,21-TETRAHYDROXY-5.ALPHA.-PREGNANE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,22-25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
MQSSTQLJJOVNQF-AFYPPJMBSA-N |
| Molecular Weight |
352.515 g/mol |
| Nominal Mass |
352 u |
| Number of Peaks |
146 |
| SMILES |
OC[C@@]([C@]1(CC[C@]2([C@@]3(CC[C@]4(C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])[H])O)(O)[H] |
| SPLASH |
splash10-0006-9430000000-0c63a7767b2dc92349fb |
| Source File Reference |
LMCM-27280-184C |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
5.ALPHA.-PREGNANE-3.BETA.,17.ALPHA.,20.BETA.,21-TETROL
PREGNANE-3,17,20,21-TETROL
(3S,5S,8R,9S,10S,13S,14S,17R)-17-((S)-1,2-dihydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_234 |
