| SpectraBase Compound ID | 5dylTLin5mY |
|---|---|
| InChI | InChI=1S/C17H26O5/c1-16(2)7-6-8-17(3)12(15(20)22-5)10(14(19)21-4)9-11(18)13(16)17/h11,13,18H,6-9H2,1-5H3/t11-,13-,17+/m0/s1 |
| InChIKey | MGOXMSCFFCQEHR-PLQHRBFRSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C17H26O5 |
| Exact Mass | 310.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ICIXQCo1nA9 |
|---|---|
| Name | 1,2-Naphthalenedicarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-4-hydroxy-5,5,8a-trimethyl-, dimethyl ester, (4.alpha.,4a.alpha.,8a.beta.)-(.+-.)- |
| Alternate Name(s) | Dimethyl (4.alpha.,4a.alpha.,8a.beta.)-5,5,8a-trimethyl-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate dimethyl (4S,4aS,8aS)-4-hydroxy-5,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarboxylate dimethyl (4S,4aS,8aS)-4-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate dimethyl (4S,4aS,8aS)-5,5,8a-trimethyl-4-oxidanyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate |
| CAS Registry Number | 78424-35-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O5 |
| InChI | InChI=1S/C17H26O5/c1-16(2)7-6-8-17(3)12(15(20)22-5)10(14(19)21-4)9-11(18)13(16)17/h11,13,18H,6-9H2,1-5H3/t11-,13-,17+/m0/s1 |
| InChIKey | MGOXMSCFFCQEHR-PLQHRBFRSA-N |
| Molecular Weight | 310.390 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](C(=C(C1)C(=O)OC)C(=O)OC)(CCCC2(C)C)C)[H])[H] |
| SPLASH | splash10-0006-9000000000-b969ff44429e92795ced |
| Source of Spectrum | J-50-362-18 |
| Wiley ID | 1311514 |