| SpectraBase Compound ID | C8BO18C63Yl |
|---|---|
| InChI | InChI=1S/C22H28O5/c1-13(23)16-11-15-7-8-19-21(3,17(15)12-18(16)27-14(2)24)9-6-10-22(19,4)20(25)26-5/h11-12,19H,6-10H2,1-5H3/t19-,21-,22+/m1/s1 |
| InChIKey | QFZDDXGIHVTIRK-FCEUIQTBSA-N |
| Mol Weight | 372.46 g/mol |
| Molecular Formula | C22H28O5 |
| Exact Mass | 372.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JxQGFLxuiXE |
|---|---|
| Name | (1S,4aS,10aR)-6-acetoxy-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester |
| CAS Registry Number | 128736-90-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O5 |
| InChI | InChI=1S/C22H28O5/c1-13(23)16-11-15-7-8-19-21(3,17(15)12-18(16)27-14(2)24)9-6-10-22(19,4)20(25)26-5/h11-12,19H,6-10H2,1-5H3/t19-,21-,22+/m1/s1 |
| InChIKey | QFZDDXGIHVTIRK-FCEUIQTBSA-N |
| Molecular Weight | 372.461 g/mol |
| SMILES | [C@]12(c3cc(OC(=O)C)c(cc3CC[C@]1([C@](C(=O)OC)(C)CCC2)[H])C(=O)C)C |
| SPLASH | splash10-053u-5069000000-7171776783d237a8553d |
| Source of Spectrum | B-43-497-23 |
| Synonyms | (1S,4aS,10aR)-7-acetyl-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1S,4aS,10aR)-6-acetoxy-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-6-acetyloxy-7-ethanoyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-7-acetyl-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Wiley ID | 1355607 |