| SpectraBase Compound ID | 7clMgHhcJVX |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-11-13(20)7-6-12-16(11)14(21)10-15-18(12,2)8-5-9-19(15,3)17(22)23-4/h11-12,14-16,21H,5-10H2,1-4H3/t11-,12+,14-,15-,16+,18-,19-/m1/s1 |
| InChIKey | VQMMSCWLORIHPP-WBNXPPIXSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1QpGDOMtWtu |
|---|---|
| Name | (1R,4aR,4bS,8S,8aR,9R,10aR)-9-hydroxy-1,4a,8-trimethyl-7-oxo-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester |
| CAS Registry Number | 128573-51-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-11-13(20)7-6-12-16(11)14(21)10-15-18(12,2)8-5-9-19(15,3)17(22)23-4/h11-12,14-16,21H,5-10H2,1-4H3/t11-,12+,14-,15-,16+,18-,19-/m1/s1 |
| InChIKey | VQMMSCWLORIHPP-WBNXPPIXSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]([C@@]3([C@]([C@@](C(=O)OC)(C)CCC3)(C1)[H])C)(CCC(=O)[C@]2(C)[H])[H])[H])[H] |
| SPLASH | splash10-0006-9120000000-d5e98c0a5409c2ecc4ce |
| Source of Spectrum | KC-1989-1882-22 |
| Synonyms | (1R,4aR,4bS,8S,8aR,9R,10aR)-9-hydroxy-7-keto-1,4a,8-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bS,8S,8aR,9R,10aR)-1,4a,8-trimethyl-9-oxidanyl-7-oxidanylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR,4bS,8S,8aR,9R,10aR)-9-hydroxy-1,4a,8-trimethyl-7-oxo-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate |
| Wiley ID | 1321851 |