| SpectraBase Compound ID | HBbX4AiBIrH |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-9-4-5-12(18-10(2)15)13(3)7-6-11(16)8-14(9,13)17/h9,12,17H,4-8H2,1-3H3/t9-,12+,13-,14+/m0/s1 |
| InChIKey | SWVCJUSGGUUQOP-GSVCSZOMSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Uo573F9oCu |
|---|---|
| Name | 1.beta.-Acetoxy-4.beta.,10.beta.-dimethyl-5.alpha.-hydroxy-decalin-7-one |
| Alternate Name(s) | (1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxodecahydro-1-naphthalenyl acetate acetic acid[(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]ester acetic acid[(1R,4S,4aR,8aS)-4a-hydroxy-6-keto-4,8a-dimethyl-decalin-1-yl]ester [(1R,4S,4aR,8aS)-4,8a-dimethyl-4a-oxidanyl-6-oxidanylidene-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]ethanoate [(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]acetate [(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-decalin-1-yl]acetate acetic acid [(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl] ester [(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl] acetate [(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-decalin-1-yl] acetate [(1R,4S,4aR,8aS)-4,8a-dimethyl-4a-oxidanyl-6-oxidanylidene-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-9-4-5-12(18-10(2)15)13(3)7-6-11(16)8-14(9,13)17/h9,12,17H,4-8H2,1-3H3/t9-,12+,13-,14+/m0/s1 |
| InChIKey | SWVCJUSGGUUQOP-GSVCSZOMSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | O[C@]12[C@]([C@](OC(=O)C)(CC[C@@]2(C)[H])[H])(CCC(=O)C1)C |
| SPLASH | splash10-0a4i-0900000000-876909d94d62145298b4 |
| Source of Spectrum | F-62-9235-17 |
| Wiley ID | 1640793 |