| SpectraBase Compound ID | BxOyTnJ3zVu |
|---|---|
| InChI | InChI=1S/C24H32O3/c1-23-11-9-17(25)13-16(23)4-5-18-20-7-6-19(15-3-8-22(26)27-14-15)24(20,2)12-10-21(18)23/h3,7-8,14,16-19,21,25H,4-6,9-13H2,1-2H3 |
| InChIKey | LPARRDGBTTTYTR-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C24H32O3 |
| Exact Mass | 368.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ZdxkfGBFjh |
|---|---|
| Name | Bufa-14,20,22-trienolide, 3-hydroxy-, (3.beta.,5.beta.)- |
| CAS Registry Number | 7439-77-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O3 |
| InChI | InChI=1S/C24H32O3/c1-23-11-9-17(25)13-16(23)4-5-18-20-7-6-19(15-3-8-22(26)27-14-15)24(20,2)12-10-21(18)23/h3,7-8,14,16-19,21,25H,4-6,9-13H2,1-2H3 |
| InChIKey | LPARRDGBTTTYTR-UHFFFAOYSA-N |
| Molecular Weight | 368.517 g/mol |
| SMILES | OC1CC2C(C)(C3C(C=4C(C)(C(CC4)C4=COC(C=C4)=O)CC3)CC2)CC1 |
| SPLASH | splash10-0mix-3942000000-0934b19b9c18254db128 |
| Source of Spectrum | O-6-53-10 |
| Synonyms | 3-Hydroxybufa-14,20,22-trienolide 14-Anhydrobufalin 14-Dehydrobufalin 5-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one 5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-pyranone 5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one 5.beta.-Bufa-14,20,22-trienolide, 3.beta.-hydroxy- |
| Wiley ID | 54148 |