| SpectraBase Compound ID | 1JGZ3rqVU2W |
|---|---|
| InChI | InChI=1S/C25H34O7/c1-8-23(4)11-9-16-20(21(23)28)17(31-14(2)26)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)32-15(3)27/h8,17-19H,1,9-13H2,2-7H3/t17-,18+,19+,23+,24-,25-/m1/s1 |
| InChIKey | JOQHFUTUMORWNY-HZATXJPPSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JpYB5eMZPXq |
|---|---|
| Name | Methyl 1.alpha.,7.alpha.-diacetoxy-14-oxo-8,15-isopimaradien-18-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O7 |
| InChI | InChI=1S/C25H34O7/c1-8-23(4)11-9-16-20(21(23)28)17(31-14(2)26)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)32-15(3)27/h8,17-19H,1,9-13H2,2-7H3/t17-,18+,19+,23+,24-,25-/m1/s1 |
| InChIKey | JOQHFUTUMORWNY-HZATXJPPSA-N |
| Molecular Weight | 446.540 g/mol |
| SMILES | C12=C(C(=O)[C@](CC2)(C=C)C)[C@](OC(=O)C)(C[C@@]2([C@@]1([C@@](OC(=O)C)(CC[C@]2(C(=O)OC)C)[H])C)[H])[H] |
| SPLASH | splash10-014i-1971000000-778fa063afe2069f668f |
| Source of Spectrum | G4-63-421-1 |
| Synonyms | (1R,4S,4aS,7R,9R,10aR)-4,9-diacetyloxy-7-ethenyl-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4S,4aS,7R,9R,10aR)-4,9-diacetyloxy-7-ethenyl-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4S,4aS,7R,9R,10aR)-4,9-diacetoxy-1,4a,7-trimethyl-8-oxo-7-vinyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4S,4aS,7R,9R,10aR)-4,9-diacetyloxy-7-ethenyl-1,4a,7-trimethyl-8-oxidanylidene-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate |
| Wiley ID | 1608280 |