| SpectraBase Compound ID | AaR0VgYMW9R |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-6-18(4)10-12-13(21)9-14-17(2,3)15(22)7-8-19(14,5)20(12,24)16(23)11-18/h6,10,13-14,21,24H,1,7-9,11H2,2-5H3/t13-,14-,18+,19-,20+/m0/s1 |
| InChIKey | ZBZPCFDHBJLKTD-SIDKUJJXSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2dEqBD1TETo |
|---|---|
| Name | Salvipimarone |
| Alternate Name(s) | (4aS,4bR,7R,9S,10aR)-4b,9-dihydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,6,9,10,10a-hexahydrophenanthrene-2,5-dione (4aS,4bR,7R,9S,10aR)-4b,9-dihydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,6,9,10,10a-hexahydrophenanthrene-2,5-quinone (4aS,4bR,7R,9S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-4b,9-bis(oxidanyl)-3,4,6,9,10,10a-hexahydrophenanthrene-2,5-dione (4aS,4bR,7R,9S,10aR)-7-ethenyl-4b,9-dihydroxy-1,1,4a,7-tetramethyl-3,4,6,9,10,10a-hexahydrophenanthrene-2,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-6-18(4)10-12-13(21)9-14-17(2,3)15(22)7-8-19(14,5)20(12,24)16(23)11-18/h6,10,13-14,21,24H,1,7-9,11H2,2-5H3/t13-,14-,18+,19-,20+/m0/s1 |
| InChIKey | ZBZPCFDHBJLKTD-SIDKUJJXSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | O[C@@]1(C=2[C@@](C(C[C@@](C2)(C=C)C)=O)([C@@]2([C@@](C1)(C(C(CC2)=O)(C)C)[H])C)O)[H] |
| SPLASH | splash10-0089-0098000000-17c7b51d09d29a76c2f8 |
| Source of Spectrum | G4-60-1279-7 |
| Wiley ID | 1607016 |