| SpectraBase Compound ID | 7HlkMgcBrO1 |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(31-7)14-19(2)24(20)30)13-22-16-26(5)11-8-12-27(26,6)28(32-22)17-23(29)25(3,4)33-28/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23?,26-,27-,28-/m1/s1 |
| InChIKey | SQDNQGDELACKGB-PNNFBKSSSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BDqqOivf2C9 |
|---|---|
| Name | amentol 1'-methyl ether |
| Alternate Name(s) | (1R,4aR,7aR)-3-[(E)-4-(2-hydroxy-5-methoxy-3-methyl-phenyl)-2-methyl-but-2-enyl]-2',2',4a,7a-tetramethyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3'-ol (1R,4aR,7aR)-3-[(E)-4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-2',2',4a,7a-tetramethyl-3'-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]ol (1R,4aR,7aR)-3-[(E)-4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol (1R,4aR,7aR)-3-[(E)-4-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2-methyl-but-2-enyl]-2',2',4a,7a-tetramethyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol |
| CAS Registry Number | 111455-63-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(31-7)14-19(2)24(20)30)13-22-16-26(5)11-8-12-27(26,6)28(32-22)17-23(29)25(3,4)33-28/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23?,26-,27-,28-/m1/s1 |
| InChIKey | SQDNQGDELACKGB-PNNFBKSSSA-N |
| Molecular Weight | 456.623 g/mol |
| SMILES | Oc1c(C\C=C\(CC2=C[C@@]3([C@]([C@]4(CC(C(O4)(C)C)O)O2)(CCC3)C)C)C)cc(cc1C)OC |
| SPLASH | splash10-0uy0-3900000000-0f4d720689c689d0a23a |
| Source of Spectrum | F-42-6019-4 |
| Wiley ID | 1389409 |