| SpectraBase Compound ID | IWQaM8uGsNW |
|---|---|
| InChI | InChI=1S/C42H57NO7/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/h10-13,24,29,32-35,45H,3,14-23H2,1-2,4-9H3/t29?,32-,33+,34+,35+,40-,41-,42+/m1/s1 |
| InChIKey | VRTPAPNAKZCUBT-BDFPKNQASA-N |
| Mol Weight | 687.9 g/mol |
| Molecular Formula | C42H57NO7 |
| Exact Mass | 687.413503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9gx7CTjayUZ |
|---|---|
| Name | PACHYMIC-ACID-PHTHALIMIDO-METHYLESTER |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H57NO7 |
| InChI | InChI=1S/C42H57NO7/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/h10-13,24,29,32-35,45H,3,14-23H2,1-2,4-9H3/t29?,32-,33+,34+,35+,40-,41-,42+/m1/s1 |
| InChIKey | VRTPAPNAKZCUBT-BDFPKNQASA-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 | 687.917 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3449 |