| SpectraBase Compound ID | LKyOWye7kWP |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-12,22H,7-9H2,1-6H3/t12-,21+/m1/s1 |
| InChIKey | RUONQJYGQKYSSL-GTJPDFRWSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EhLA49rj7lH |
|---|---|
| Name | 12-Methyl-5-dehydrohorminone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-12,22H,7-9H2,1-6H3/t12-,21+/m1/s1 |
| InChIKey | RUONQJYGQKYSSL-GTJPDFRWSA-N |
| Molecular Weight | 344.451 g/mol |
| SMILES | O[C@]1(C2=C([C@@]3(C(=C1)C(C)(C)CCC3)C)C(C(=C(C(C)C)C2=O)OC)=O)[H] |
| SPLASH | splash10-006t-0191000000-51c12f63501b60e7d82c |
| Source of Spectrum | G4-60-1279-5 |
| Synonyms | (4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione (4bS,10R)-10-hydroxy-2-isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,10-tetrahydrophenanthrene-1,4-dione (4bS,10R)-3-methoxy-4b,8,8-trimethyl-10-oxidanyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione |
| Wiley ID | 1607018 |