| SpectraBase Compound ID | 7GIZ0qCZMHA |
|---|---|
| InChI | InChI=1S/C23H32O3/c1-14(2)17-12-16-8-9-20-22(4,19(16)13-18(17)15(3)24)10-7-11-23(20,5)21(25)26-6/h12-14,20H,7-11H2,1-6H3/t20?,22-,23-/m1/s1 |
| InChIKey | HFNSWUWOTLFFOE-JHRSTNGLSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 26KTQAU5VXO |
|---|---|
| Name | (1R,4aS)-6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/c1-14(2)17-12-16-8-9-20-22(4,19(16)13-18(17)15(3)24)10-7-11-23(20,5)21(25)26-6/h12-14,20H,7-11H2,1-6H3/t20?,22-,23-/m1/s1 |
| InChIKey | HFNSWUWOTLFFOE-JHRSTNGLSA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | [C@]12(c3cc(C(=O)C)c(cc3CCC1[C@@](C(=O)OC)(C)CCC2)C(C)C)C |
| SPLASH | splash10-053r-0195000000-394a130a42ff800bb725 |
| Source of Spectrum | AH-129-1191-4 |
| Synonyms | (1R,4aS)-6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS)-6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS)-6-ethanoyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Wiley ID | 770465 |