| SpectraBase Compound ID | 7LIqGMJ3T3I |
|---|---|
| InChI | InChI=1S/C24H32O4/c1-23-9-7-16(25)11-15(23)4-5-17-18(23)8-10-24(2)19(12-20(26)22(17)24)14-3-6-21(27)28-13-14/h3,6,13,15-19,22,25H,4-5,7-12H2,1-2H3 |
| InChIKey | NTLOERPHSXBROY-UHFFFAOYSA-N |
| Mol Weight | 384.5 g/mol |
| Molecular Formula | C24H32O4 |
| Exact Mass | 384.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6wI4y3vay5L |
|---|---|
| Name | Bufa-20,22-dienolide, 3-hydroxy-15-oxo-, (3.beta.,5.beta.,14.alpha.)- |
| CAS Registry Number | 468-86-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O4 |
| InChI | InChI=1S/C24H32O4/c1-23-9-7-16(25)11-15(23)4-5-17-18(23)8-10-24(2)19(12-20(26)22(17)24)14-3-6-21(27)28-13-14/h3,6,13,15-19,22,25H,4-5,7-12H2,1-2H3 |
| InChIKey | NTLOERPHSXBROY-UHFFFAOYSA-N |
| Molecular Weight | 384.516 g/mol |
| SMILES | OC1CC2C(C3C(C4C(C)(CC3)C(CC4=O)C3=COC(C=C3)=O)CC2)(C)CC1 |
| SPLASH | splash10-0600-5931000000-ca5799ed1137ed1c4954 |
| Source of Spectrum | O-6-635-14 |
| Synonyms | 3-Hydroxy-15-oxobufa-20,22-dienolide 14.alpha.-Artebufogenin 5-(10,13-dimethyl-3-oxidanyl-15-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one 5-(3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-pyranone 5-(3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one 5-(3-hydroxy-15-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one 5.beta.,14.alpha.-Bufa-20,22-dienolide, 3.beta.-hydroxy-15-oxo- |
| Wiley ID | 55658 |