| SpectraBase Compound ID | Cmym1iZv1qP |
|---|---|
| InChI | InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ADIURPPZKNTYEV-SPLXPWGMSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C36H50O10 |
| Exact Mass | 642.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzqtdzSZiry |
|---|---|
| Name | 12-BETA-ACETOXY-HURATOXIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O10 |
| InChI | InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ADIURPPZKNTYEV-SPLXPWGMSA-N |
| Literature Reference Author | S.YAGA,K.KINJO,H.HAYASHI,N.MATSUO,F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,32,141(1993) |
| Literature Reference DOI | 10.1016/0031-9422(92)80120-4 |
| Molecular Weight | 642.787 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3557 |