| SpectraBase Compound ID | AO4ca3cEwx2 |
|---|---|
| InChI | InChI=1S/C28H36O5/c1-27-14-12-19(26(31)33-4)16-20(27)10-11-21-22(27)13-15-28(2,23(21)17-24(29)32-3)25(30)18-8-6-5-7-9-18/h5-10,19,21-23H,11-17H2,1-4H3 |
| InChIKey | VZTWJANPTDRZPX-UHFFFAOYSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H36O5 |
| Exact Mass | 452.256274 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FjgUjAf91E5 |
|---|---|
| Name | 7-Benzoyl-8-methoxycarbonylmethyl-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-phenanthrene-2-carboxylic acid, methyl ester |
| Alternate Name(s) | 7-Benzoyl-8-(2-keto-2-methoxy-ethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthrene-2-carboxylic acid methyl ester 7-Benzoyl-8-(2-methoxy-2-oxoethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthrene-2-carboxylic acid methyl ester Methyl 7-benzoyl-8-(2-methoxy-2-oxoethyl)-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-2-phenanthrenecarboxylate Methyl 7-benzoyl-8-(2-methoxy-2-oxoethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthrene-2-carboxylate Methyl 7-benzoyl-8-(2-methoxy-2-oxo-ethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthrene-2-carboxylate Methyl 8-(2-methoxy-2-oxidanylidene-ethyl)-4a,7-dimethyl-7-(phenylcarbonyl)-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthrene-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O5 |
| InChI | InChI=1S/C28H36O5/c1-27-14-12-19(26(31)33-4)16-20(27)10-11-21-22(27)13-15-28(2,23(21)17-24(29)32-3)25(30)18-8-6-5-7-9-18/h5-10,19,21-23H,11-17H2,1-4H3 |
| InChIKey | VZTWJANPTDRZPX-UHFFFAOYSA-N |
| Molecular Weight | 452.591 g/mol |
| SMILES | C1(C(C2CC=C3C(C2CC1)(CCC(C(=O)OC)C3)C)CC(=O)OC)(C(=O)c1ccccc1)C |
| SPLASH | splash10-0bt9-4954000000-9d57cbbffeb8fc8be7fb |
| Wiley ID | 1485384 |