| SpectraBase Compound ID | 2kb3okL8bFX |
|---|---|
| InChI | InChI=1S/C23H30O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h11-12,14H,8-10H2,1-7H3/t14-,23+/m1/s1 |
| InChIKey | KRHKKRFFQDNBIN-FATZIPQQSA-N |
| Mol Weight | 386.49 g/mol |
| Molecular Formula | C23H30O5 |
| Exact Mass | 386.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AqpnJSt8I2T |
|---|---|
| Name | 12-Methyl-5-dehydro-acetylhorminone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30O5 |
| InChI | InChI=1S/C23H30O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h11-12,14H,8-10H2,1-7H3/t14-,23+/m1/s1 |
| InChIKey | KRHKKRFFQDNBIN-FATZIPQQSA-N |
| Molecular Weight | 386.488 g/mol |
| SMILES | C12=C(C(=O)C(=C(C2=O)OC)C(C)C)[C@](OC(=O)C)(C=C2[C@@]1(CCCC2(C)C)C)[H] |
| SPLASH | splash10-00bc-0179000000-682c69203043836f0fd3 |
| Source of Spectrum | G4-60-1279-6 |
| Synonyms | Acetic acid [(4aS,9R)-6-methoxy-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9-tetrahydrophenanthren-9-yl] ester [(4aS,9R)-6-methoxy-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9-tetrahydrophenanthren-9-yl] acetate [(4aS,9R)-7-isopropyl-6-methoxy-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9-tetrahydrophenanthren-9-yl] acetate [(4aS,9R)-6-methoxy-1,1,4a-trimethyl-5,8-bis(oxidanylidene)-7-propan-2-yl-2,3,4,9-tetrahydrophenanthren-9-yl] ethanoate |
| Wiley ID | 1607017 |