| SpectraBase Compound ID | GWJ9LoWm29r |
|---|---|
| InChI | InChI=1S/C46H44N2O14/c1-25(49)57-35-12-7-31(8-13-35)17-19-47-45(55)38-21-34-23-41(61-29(5)53)42(62-30(6)54)24-37(34)43(33-11-16-39(59-27(3)51)40(22-33)60-28(4)52)44(38)46(56)48-20-18-32-9-14-36(15-10-32)58-26(2)50/h7-16,21-24,43-44H,17-20H2,1-6H3,(H,47,55)(H,48,56)/t43-,44-/m1/s1 |
| InChIKey | HNRBDQIFXDCIIA-NDOUMJCMSA-N |
| Mol Weight | 848.9 g/mol |
| Molecular Formula | C46H44N2O14 |
| Exact Mass | 848.279254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uAK9owIVgl |
|---|---|
| Name | CANNABISIN_B_HEXAACETATE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H44N2O14 |
| InChI | InChI=1S/C46H44N2O14/c1-25(49)57-35-12-7-31(8-13-35)17-19-47-45(55)38-21-34-23-41(61-29(5)53)42(62-30(6)54)24-37(34)43(33-11-16-39(59-27(3)51)40(22-33)60-28(4)52)44(38)46(56)48-20-18-32-9-14-36(15-10-32)58-26(2)50/h7-16,21-24,43-44H,17-20H2,1-6H3,(H,47,55)(H,48,56)/t43-,44-/m1/s1 |
| InChIKey | HNRBDQIFXDCIIA-NDOUMJCMSA-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 | 848.860 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ21556 |