| SpectraBase Compound ID | 7ck5ooMNy8z |
|---|---|
| InChI | InChI=1S/C23H34O7/c1-7-21(3)11-13(25)18-17(19(21)27)14(30-12(2)24)10-15-22(4,20(28)29-6)9-8-16(26)23(15,18)5/h7,13-16,19,25-27H,1,8-11H2,2-6H3/t13-,14-,15+,16+,19-,21+,22-,23-/m1/s1 |
| InChIKey | OKEBEOPRWZEJIC-XQZPBNDJSA-N |
| Mol Weight | 422.5 g/mol |
| Molecular Formula | C23H34O7 |
| Exact Mass | 422.230453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdvbF2LLVE2 |
|---|---|
| Name | Methyl 1.alpha.,11.alpha.,14.alpha.-trihydroxy-7.alpha.-acetoxy-8,15-isopimaradien-18-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O7 |
| InChI | InChI=1S/C23H34O7/c1-7-21(3)11-13(25)18-17(19(21)27)14(30-12(2)24)10-15-22(4,20(28)29-6)9-8-16(26)23(15,18)5/h7,13-16,19,25-27H,1,8-11H2,2-6H3/t13-,14-,15+,16+,19-,21+,22-,23-/m1/s1 |
| InChIKey | OKEBEOPRWZEJIC-XQZPBNDJSA-N |
| Molecular Weight | 422.518 g/mol |
| SMILES | O[C@@]1([C@]2([C@@](C[C@](C3=C2[C@@](C[C@@]([C@@]3(O)[H])(C=C)C)(O)[H])(OC(=O)C)[H])([C@@](CC1)(C(=O)OC)C)[H])C)[H] |
| SPLASH | splash10-053u-1910000000-2f835675509537e1f508 |
| Source of Spectrum | G4-63-421-4 |
| Synonyms | (1R,4S,4aS,5R,7R,8S,9R,10aR)-9-acetyloxy-7-ethenyl-4,5,8-trihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4S,4aS,5R,7R,8S,9R,10aR)-9-acetyloxy-7-ethenyl-4,5,8-trihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4S,4aS,5R,7R,8S,9R,10aR)-9-acetoxy-4,5,8-trihydroxy-1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4S,4aS,5R,7R,8S,9R,10aR)-9-acetyloxy-7-ethenyl-1,4a,7-trimethyl-4,5,8-tris(oxidanyl)-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate |
| Wiley ID | 1608277 |