| SpectraBase Compound ID | 88h8rFmcRvK |
|---|---|
| InChI | InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29?,32-,33+,34-,35+,40-,41-,42+/m1/s1 |
| InChIKey | AEIODDCOGPFVEZ-HMZLBSIXSA-N |
| Mol Weight | 685.9 g/mol |
| Molecular Formula | C42H55NO7 |
| Exact Mass | 685.397853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5wqHg0ugI9 |
|---|---|
| Name | 3-EPI-DEHYDROPACHYMIC-ACID-PHTHALIMIDO-METHYLESTER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H55NO7 |
| InChI | InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29?,32-,33+,34-,35+,40-,41-,42+/m1/s1 |
| InChIKey | AEIODDCOGPFVEZ-HMZLBSIXSA-N |
| Literature Reference Author | T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI |
| Literature Reference Citation | PHYTOCHEM.,40,225(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00182-7 |
| Molecular Weight | 685.901 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3447 |