| SpectraBase Compound ID | 1IqBXnG2Euh |
|---|---|
| InChI | InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m1/s1 |
| InChIKey | XYTYRVFKBJENPE-KKLWWLSJSA-N |
| Mol Weight | 624.7 g/mol |
| Molecular Formula | C36H36N2O8 |
| Exact Mass | 624.247166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Yd2bz9si5R |
|---|---|
| Name | CANNABISIN_D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36N2O8 |
| InChI | InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m1/s1 |
| InChIKey | XYTYRVFKBJENPE-KKLWWLSJSA-N |
| Literature Reference Author | I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | PHYTOCHEM.,31,3219(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83479-I |
| Molecular Weight | 624.690 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ21559 |