| SpectraBase Compound ID | 1Sw0mkyswK1 |
|---|---|
| InChI | InChI=1S/C25H36O9/c1-12-18-8-7-16-17(11-21(30)31-6)20(29)10-9-19(16)25(18,5)24(34-15(4)28)23(33-14(3)27)22(12)32-13(2)26/h12,16-19,22-24H,7-11H2,1-6H3 |
| InChIKey | BKCABRIWAFBYOH-UHFFFAOYSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C25H36O9 |
| Exact Mass | 480.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6130bymK4Ex |
|---|---|
| Name | (5,6,7-Triacetoxy-4b,8-dimethyl-2-oxo-tetradecahydro-phenanthren-1-yl)-acetic acid, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O9 |
| InChI | InChI=1S/C25H36O9/c1-12-18-8-7-16-17(11-21(30)31-6)20(29)10-9-19(16)25(18,5)24(34-15(4)28)23(33-14(3)27)22(12)32-13(2)26/h12,16-19,22-24H,7-11H2,1-6H3 |
| InChIKey | BKCABRIWAFBYOH-UHFFFAOYSA-N |
| Molecular Weight | 480.554 g/mol |
| SMILES | CC1C2C(C)(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)C1C(CC2)C(C(CC1)=O)CC(=O)OC |
| SPLASH | splash10-052f-6954100000-a5c0750fd615d24caae3 |
| Synonyms | 2-(5,6,7-triacetoxy-2-keto-4b,8-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)acetic acid methyl ester 2-(5,6,7-triacetyloxy-4b,8-dimethyl-2-oxo-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)acetic acid methyl ester Methyl 2-(5,6,7-triacetoxy-4b,8-dimethyl-2-oxo-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)acetate Methyl 2-(5,6,7-triacetyloxy-4b,8-dimethyl-2-oxidanylidene-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)ethanoate Methyl 2-(5,6,7-triacetyloxy-4b,8-dimethyl-2-oxo-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)acetate |
| Wiley ID | 1484394 |