| SpectraBase Compound ID | L6fcUjTV47D |
|---|---|
| InChI | InChI=1S/C36H46O14/c1-18-14-26(47-19(2)38)29(48-20(3)39)32(46-18)50-23-8-11-34(17-37)28-25(9-12-35(34,43)15-23)36(44)13-10-24(22-6-7-27(41)45-16-22)33(36,5)31(42)30(28)49-21(4)40/h6-7,16-18,23-26,28-30,32,43-44H,8-15H2,1-5H3/t18-,23+,24-,25-,26-,28-,29+,30+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | REPRBCOKQKJVBV-UVUGTFHWSA-N |
| Mol Weight | 702.8 g/mol |
| Molecular Formula | C36H46O14 |
| Exact Mass | 702.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJTDQubVQJa |
|---|---|
| Name | BRYOTOXIN-A-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O14 |
| InChI | InChI=1S/C36H46O14/c1-18-14-26(47-19(2)38)29(48-20(3)39)32(46-18)50-23-8-11-34(17-37)28-25(9-12-35(34,43)15-23)36(44)13-10-24(22-6-7-27(41)45-16-22)33(36,5)31(42)30(28)49-21(4)40/h6-7,16-18,23-26,28-30,32,43-44H,8-15H2,1-5H3/t18-,23+,24-,25-,26-,28-,29+,30+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | REPRBCOKQKJVBV-UVUGTFHWSA-N |
| Literature Reference Author | R.J.CAPON,J.K.MACLEOD,P.B.OELRICHS |
| Literature Reference Citation | AUSTR.J.CHEM.,39,1711(1986) |
| Molecular Weight | 702.753 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR504 |