| SpectraBase Compound ID | 7pFmR1bx2lU |
|---|---|
| InChI | InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21-,24+/m1/s1 |
| InChIKey | FCWYNTDTQPCVPG-XLRKYUMYSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C24H30O4 |
| Exact Mass | 382.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5YReqlSiZGK |
|---|---|
| Name | Colladonin |
| CAS Registry Number | 57525-77-6 |
| Classification | Triterpene |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 382.214409442 u |
| Formula | C24H30O4 |
| InChI | InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21-,24+/m1/s1 |
| InChIKey | FCWYNTDTQPCVPG-XLRKYUMYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 382.500 g/mol |
| Nominal Mass | 382 u |
| Quality | 997 |
| Retention Index | 2873 |
| SMILES | O[C@]1(C([C@@]2([C@]([C@@](C(CC2)=C)(COC=2C=C3C(=CC2)C=CC(O3)=O)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-03e9-5910000000-7ae21cdbe7ae9009b742 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Coladonin 7-(((1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)methoxy)-\r2H-chromen-2-one |
| Technique | GC/MS |
| Wiley ID | DD2024_030414 |