| SpectraBase Compound ID | 3sXdL2MnPpC |
|---|---|
| InChI | InChI=1S/C44H44O13/c1-24(20-31-8-14-34(15-9-31)53-26(3)45)25(2)41(33-12-16-35(17-13-33)54-27(4)46)43-40(56-29(6)48)22-39(55-28(5)47)42(44(43)57-30(7)49)36(50)18-10-32-11-19-37-38(21-32)52-23-51-37/h8-9,11-17,19,21-22,24-25,41H,10,18,20,23H2,1-7H3/t24-,25+,41-/m1/s1 |
| InChIKey | JGDLTAGSMSRPEX-IUQOLBPHSA-N |
| Mol Weight | 780.8 g/mol |
| Molecular Formula | C44H44O13 |
| Exact Mass | 780.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZbNZIpsiGz |
|---|---|
| Name | IRYANTHERIN-J-PENTAACETATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H44O13 |
| InChI | InChI=1S/C44H44O13/c1-24(20-31-8-14-34(15-9-31)53-26(3)45)25(2)41(33-12-16-35(17-13-33)54-27(4)46)43-40(56-29(6)48)22-39(55-28(5)47)42(44(43)57-30(7)49)36(50)18-10-32-11-19-37-38(21-32)52-23-51-37/h8-9,11-17,19,21-22,24-25,41H,10,18,20,23H2,1-7H3/t24-,25+,41-/m1/s1 |
| InChIKey | JGDLTAGSMSRPEX-IUQOLBPHSA-N |
| Literature Reference Author | D.H.S.SILVA,A.J.CAVALHEIRO,M.YOSHIDA,O.R.GOTTLIEB |
| Literature Reference Citation | PHYTOCHEM.,38,1013(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00730-H |
| Molecular Weight | 780.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3856 |