| SpectraBase Compound ID | 6NBedXFN556 |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-6-19(4)10-13(16(21)22)20(5)12-8-7-9-18(2,3)15(12)17(23)24-14(20)11-19/h6,13-14H,1,7-11H2,2-5H3,(H,21,22)/t13-,14-,19+,20-/m0/s1 |
| InChIKey | NTAKAWMWMVZWTA-LHHVKLHASA-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 | ICX0LDYOU3P |
|---|---|
| Name | Candida-lactone |
| Alternate Name(s) | (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxo-2,4,4a,8,9,10-hexahydro-1H-benzo[c][1]benzopyran-1-carboxylic acid (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxo-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylic acid (1R,3R,4aS,10bR)-3,7,7,10b-tetramethyl-6-oxo-3-vinyl-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylic acid (1R,3R,4aS,10bR)-3-ethenyl-3,7,7,10b-tetramethyl-6-oxidanylidene-2,4,4a,8,9,10-hexahydro-1H-benzo[c]chromene-1-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-6-19(4)10-13(16(21)22)20(5)12-8-7-9-18(2,3)15(12)17(23)24-14(20)11-19/h6,13-14H,1,7-11H2,2-5H3,(H,21,22)/t13-,14-,19+,20-/m0/s1 |
| InChIKey | NTAKAWMWMVZWTA-LHHVKLHASA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC([C@]1([C@@]2(C3=C(C(C)(C)CCC3)C(O[C@]2(C[C@@](C=C)(C)C1)[H])=O)C)[H])=O |
| SPLASH | splash10-0023-4907000000-91d875c20197cf0e1415 |
| Source of Spectrum | G4-60-480-1 |
| Wiley ID | 1606699 |