| SpectraBase Compound ID | H1YdKJ99XUa |
|---|---|
| InChI | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3 |
| InChIKey | QEEBRPGZBVVINN-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C24H34O4 |
| Exact Mass | 386.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ggk7IvDHNEt |
|---|---|
| Name | Bufa-20,22-dienolide, 3,14-dihydroxy-, (3.beta.,5.beta.)- |
| Alternate Name(s) | 3,14-Dihydroxybufa-20,22-dienolide 3-.beta.,14-Dihydroxy-5-.beta.-bufa-20,22-dienolide 5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-pyranone 5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one 5-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one 5.beta.-Bufa-20,22-dienolide, 3.beta.,14-dihydroxy- Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- Bufalin BRN 5141601 NSC 89595 |
| CAS Registry Number | 465-21-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H34O4 |
| InChI | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3 |
| InChIKey | QEEBRPGZBVVINN-UHFFFAOYSA-N |
| Molecular Weight | 386.532 g/mol |
| SMILES | OC12C(CCC3C1CCC1C3(CCC(C1)O)C)(C)C(CC2)C=1C=CC(=O)OC1 |
| SPLASH | splash10-05i3-5943000000-de6b3555a52b4698f245 |
| Source of Spectrum | O-6-49-1 |
| Wiley ID | 55866 |