| SpectraBase Compound ID | 3AFvqpZxkcD |
|---|---|
| InChI | InChI=1S/C40H55NO14/c1-11-41-18-37(19-46-5)27(52-20(2)42)15-28(49-8)40-24-16-38(54-21(3)43)29(50-9)17-39(55-22(4)44,31(34(40)41)32(51-10)33(37)40)30(24)35(38)53-36(45)23-12-13-25(47-6)26(14-23)48-7/h12-14,24,27-35H,11,15-19H2,1-10H3/t24-,27-,28+,29+,30-,31+,32+,33-,34?,35-,37+,38+,39-,40+/m1/s1 |
| InChIKey | CWRQTZRAIPBZKX-DFYJAVDYSA-N |
| Mol Weight | 773.9 g/mol |
| Molecular Formula | C40H55NO14 |
| Exact Mass | 773.362255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8xxmHQpPAL |
|---|---|
| Name | 3,13-DIACETYLPSEUDOACONITRINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55NO14 |
| InChI | InChI=1S/C40H55NO14/c1-11-41-18-37(19-46-5)27(52-20(2)42)15-28(49-8)40-24-16-38(54-21(3)43)29(50-9)17-39(55-22(4)44,31(34(40)41)32(51-10)33(37)40)30(24)35(38)53-36(45)23-12-13-25(47-6)26(14-23)48-7/h12-14,24,27-35H,11,15-19H2,1-10H3/t24-,27-,28+,29+,30-,31+,32+,33-,34?,35-,37+,38+,39-,40+/m1/s1 |
| InChIKey | CWRQTZRAIPBZKX-DFYJAVDYSA-N |
| Literature Reference Author | H.K.DESAI,B.P.HART,R.W.CALDWELL,J.HUANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,61,743(1998) |
| Literature Reference DOI | 10.1021/np970499j |
| Molecular Weight | 773.875 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2176 |