| SpectraBase Compound ID | 6ZrIUyUCcoE |
|---|---|
| InChI | InChI=1S/C32H40O9/c1-17(2)21-9-7-18(3)11-24(21)40-32-28(29(33)20-8-10-23-25(15-20)39-16-38-23)22(31(34)41-32)12-19-13-26(35-4)30(37-6)27(14-19)36-5/h8,10,12-15,17-18,21,24,28-29,32-33H,7,9,11,16H2,1-6H3/b22-12-/t18?,21?,24?,28-,29?,32+/m0/s1 |
| InChIKey | RPHNVMFJXHJKGJ-ZGUJTNOESA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H40O9 |
| Exact Mass | 568.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tV3Z9f7tRb |
|---|---|
| Name | (-)-(4R,5R)-3-(3'',4'',5''-trimethoxybenzylidene)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)-5-(1-menthyloxy)butyroactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 568.267232859 u |
| Formula | C32H40O9 |
| InChI | InChI=1S/C32H40O9/c1-17(2)21-9-7-18(3)11-24(21)40-32-28(29(33)20-8-10-23-25(15-20)39-16-38-23)22(31(34)41-32)12-19-13-26(35-4)30(37-6)27(14-19)36-5/h8,10,12-15,17-18,21,24,28-29,32-33H,7,9,11,16H2,1-6H3/b22-12-/t18?,21?,24?,28-,29?,32+/m0/s1 |
| InChIKey | RPHNVMFJXHJKGJ-ZGUJTNOESA-N |
| Molecular Weight | 568.663 g/mol |
| SMILES | [C@]1(\C(C(O[C@]1(OC1C(CCC(C1)C)C(C)C)[H])=O)=C\C1=CC(OC)=C(C(=C1)OC)OC)(C(C=1C=C2OCOC2=CC1)O)[H] |