| SpectraBase Compound ID | 9O9QhVxurQV |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-19-12-15-32(27(34)36-9)17-16-30(6)21(25(32)20(19)2)10-11-24-29(5)18-22(35-8)26(33)28(3,4)23(29)13-14-31(24,30)7/h10,19-20,22-26,33H,11-18H2,1-9H3/t19-,20+,22-,23?,24?,25?,26+,29+,30-,31-,32+/m1/s1 |
| InChIKey | QHMLMONETUGTOY-IHDNJLMYSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vCzoV34JzK |
|---|---|
| Name | METHYL_NEPETOATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-19-12-15-32(27(34)36-9)17-16-30(6)21(25(32)20(19)2)10-11-24-29(5)18-22(35-8)26(33)28(3,4)23(29)13-14-31(24,30)7/h10,19-20,22-26,33H,11-18H2,1-9H3/t19-,20+,22-,23?,24?,25?,26+,29+,30-,31-,32+/m1/s1 |
| InChIKey | QHMLMONETUGTOY-IHDNJLMYSA-N |
| Literature Reference Author | S.P.S.BHANDARI,H.S.GARG,P.K.AGRAWAL,D.S.BHAKUNI |
| Literature Reference Citation | PHYTOCHEM.,29,3956(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85375-P |
| Molecular Weight | 500.762 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ19661 |