| SpectraBase Compound ID | 5AdtGcrRgKY |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-17-7-4-8-18(2,16(21)22-3)15(17)10-14(20)12-9-11(19)5-6-13(12)17/h12-15,20H,4-10H2,1-3H3/t12-,13+,14-,15-,17-,18-/m1/s1 |
| InChIKey | GQXZWHQUFHGZQS-CNVOCDGBSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HHaQRmjMBs3 |
|---|---|
| Name | (1R,4aR,4bS,8aR,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-oxo-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester |
| CAS Registry Number | 109164-57-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-17-7-4-8-18(2,16(21)22-3)15(17)10-14(20)12-9-11(19)5-6-13(12)17/h12-15,20H,4-10H2,1-3H3/t12-,13+,14-,15-,17-,18-/m1/s1 |
| InChIKey | GQXZWHQUFHGZQS-CNVOCDGBSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | O[C@]1([C@@]2(CC(=O)CC[C@@]2([C@@]2([C@]([C@](C(=O)OC)(CCC2)C)(C1)[H])C)[H])[H])[H] |
| SPLASH | splash10-05ai-0890000000-660cd2e89bd1216f25ae |
| Source of Spectrum | KC-1989-1879-6 |
| Synonyms | (1R,4aR,4bS,8aR,9R,10aR)-9-hydroxy-7-keto-1,4a-dimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bS,8aR,9R,10aR)-1,4a-dimethyl-9-oxidanyl-7-oxidanylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR,4bS,8aR,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-oxo-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate |
| Wiley ID | 1309920 |