| SpectraBase Spectrum ID |
IHK3giCm4ew |
| Name |
11.ALPHA.,16.ALPHA.-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/c1-11(22)18-16(24)9-15-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15-,16+,17+,18-,19+,20-,21-/m0/s1 |
| InChIKey |
KTOPCTSOJVGFJS-ZKHSGZSQSA-N |
| Molecular Weight |
346.467 g/mol |
| Nominal Mass |
346 u |
| Number of Peaks |
114 |
| SMILES |
O[C@]1([C@@]([C@]2(C[C@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(C1)[H])[H])=O)C)[H])(O)[H])C)(C(C)=O)[H])[H] |
| SPLASH |
splash10-00dl-6911000000-6424c70b3ecd0b589a09 |
| Source File Reference |
LMCM-62363-925X |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
11,16-DIHYDROXYPREGN-4-ENE-3,20-DIONE
(8S,9S,10R,11R,13S,14S,16R,17R)-17-acetyl-11,16-dihydroxy-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_296 |
