| SpectraBase Spectrum ID |
JEom7NXsEy0 |
| Name |
Digoxigenin |
| CAS Registry Number |
1672-46-4 |
| Classification |
Pharmaceutical drug, cardiac glycoside |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.240624190 u |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15?,16-,17-,18+,19-,21+,22+,23+/m1/s1 |
| InChIKey |
SHIBSTMRCDJXLN-CZPNZENRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
390.520 g/mol |
| Nominal Mass |
390 u |
| Quality |
942 |
| SMILES |
OC1C[C@@]2([C@@]([C@@]3([C@]([C@@]4([C@]([C@@](C3)(O)[H])([C@@](C3=CC(OC3)=O)(CC4)[H])C)O)(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-0zfu-2931000000-71aff9be971e9ccf7e77 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Digoxigenine
Lanadigenin
4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-dimethyl-\r1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| Technique |
DI/MS |
| Wiley ID |
DD2024_009165 |
