| SpectraBase Spectrum ID |
15fra6mtibF |
| Name |
11.BETA.,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey |
OMFXVFTZEKFJBZ-HJTSIMOOSA-N |
| Molecular Weight |
346.467 g/mol |
| Nominal Mass |
346 u |
| Number of Peaks |
85 |
| SMILES |
OCC([C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)[H])=O |
| SPLASH |
splash10-014i-9747000000-3293db51746c35507d97 |
| Source File Reference |
LMCM-24098-858C |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
11,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_294 |
