| SpectraBase Compound ID | 3fvOwRJSEen |
|---|---|
| InChI | InChI=1S/C26H32O4/c1-16(27)30-19-10-12-25(2)18(14-19)5-6-20-22-8-7-21(17-4-9-24(28)29-15-17)26(22,3)13-11-23(20)25/h4,7-9,15,18-20,23H,5-6,10-14H2,1-3H3 |
| InChIKey | KXEKMIBVNXJFLU-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C26H32O4 |
| Exact Mass | 408.23006 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EHsyrG5dx6G |
|---|---|
| Name | Bufa-14,16,20,22-tetraenolide, 3-(acetyloxy)-, (3.beta.,5.beta.)- |
| CAS Registry Number | 31444-09-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32O4 |
| InChI | InChI=1S/C26H32O4/c1-16(27)30-19-10-12-25(2)18(14-19)5-6-20-22-8-7-21(17-4-9-24(28)29-15-17)26(22,3)13-11-23(20)25/h4,7-9,15,18-20,23H,5-6,10-14H2,1-3H3 |
| InChIKey | KXEKMIBVNXJFLU-UHFFFAOYSA-N |
| Molecular Weight | 408.538 g/mol |
| SMILES | CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(=CC=C32)C=2C=CC(=O)OC2)C1 |
| SPLASH | splash10-052f-7940100000-0de5dc20da2be179c417 |
| Source of Spectrum | O-6-51-6 |
| Synonyms | 3-(Acetyloxy)bufa-14,16,20,22-tetraenolide 3.beta.-Acetoxybufotalien Acetic acid [10,13-dimethyl-17-(6-oxo-3-pyranyl)-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-oxidanylidenepyran-3-yl)-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1373125 |