![Methyl 5-(2-{2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-ethoxypropyl]-3-furyl}ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate](/api/spectrum/Jlm04xYTOxZ/structure.png?h=300&w=458 "Methyl 5-(2-{2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-ethoxypropyl]-3-furyl}ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate")
| SpectraBase Compound ID | KCsYF5ut3MA |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-7-32-24(29)18(3)22(28)23-19(13-16-33-23)10-11-20-17(2)9-12-21-26(20,4)14-8-15-27(21,5)25(30)31-6/h13,16,18,20-22,28H,2,7-12,14-15H2,1,3-6H3/t18-,20+,21-,22?,26-,27+/m1/s1 |
| InChIKey | BTQVEVQGCZPGTM-GWNWRODXSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jlm04xYTOxZ |
|---|---|
| Name | Methyl 5-(2-{2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-ethoxypropyl]-3-furyl}ethyl)-1,4A-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.282489002 u |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-7-32-24(29)18(3)22(28)23-19(13-16-33-23)10-11-20-17(2)9-12-21-26(20,4)14-8-15-27(21,5)25(30)31-6/h13,16,18,20-22,28H,2,7-12,14-15H2,1,3-6H3/t18-,20+,21-,22?,26-,27+/m1/s1 |
| InChIKey | BTQVEVQGCZPGTM-GWNWRODXSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CCC1=C(C([C@](C(=O)OCC)(C)[H])O)OC=C1)[H])=C)[H])C |