| SpectraBase Spectrum ID |
8GR97WjfzDU |
| Name |
Oleandrine |
| Classification |
Cardenolide |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
576.329833117 u |
| Formula |
C32H48O9 |
| InChI |
InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20-,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 |
| InChIKey |
JLPDBLFIVFSOCC-KKFGKAOBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
576.727 g/mol |
| Nominal Mass |
576 u |
| Quality |
978 |
| Retention Index |
4305 |
| SMILES |
O[C@@]1([C@](C[C@](O[C@@]2(C[C@]3([C@@]([C@@]4([C@]([C@@]5([C@](CC4)([C@]([C@](C5)(OC(=O)C)[H])(C4=CC(OC4)=O)[H])C)O)(CC3)[H])[H])(CC2)C)[H])[H])(O[C@]1(C)[H])[H])(OC)[H])[H] |
| SPLASH |
splash10-052f-6952140000-b20ceb8dc5b38cb9a3b4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-\r6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-\rtetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030979 |
