| SpectraBase Compound ID | GJOmxHrokft |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-13(2)14-12-21(24)10-7-16-19(3,17(21)11-15(14)22)8-6-9-20(16,4)18(23)25-5/h12-13,16-17,24H,6-11H2,1-5H3 |
| InChIKey | HDHZYDQBOSLOST-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7KhcYUVFWCd |
|---|---|
| Name | Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate |
| Alternate Name(s) | 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-isopropyl-6-oxo-, methyl ester 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester 8a-hydroxy-7-isopropyl-6-keto-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-8a-oxidanyl-6-oxidanylidene-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl 8a-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate |
| CAS Registry Number | 3787-85-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-13(2)14-12-21(24)10-7-16-19(3,17(21)11-15(14)22)8-6-9-20(16,4)18(23)25-5/h12-13,16-17,24H,6-11H2,1-5H3 |
| InChIKey | HDHZYDQBOSLOST-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | OC12C(C3(C)C(C(C(OC)=O)(C)CCC3)CC1)CC(=O)C(=C2)C(C)C |
| SPLASH | splash10-007t-0932000000-b66601d041e743acbb0f |
| Source of Spectrum | W5-30775-0-0 |
| Wiley ID | 1340819 |