| SpectraBase Compound ID | HLKtKS3oMjX |
|---|---|
| InChI | InChI=1S/C40H53NO5/c1-24(2)25(3)13-14-28(36(45)46-23-41-34(43)26-11-9-10-12-27(26)35(41)44)29-17-21-40(8)31-15-16-32-37(4,5)33(42)19-20-38(32,6)30(31)18-22-39(29,40)7/h9-12,15,18,24,28-29,32-33,42H,3,13-14,16-17,19-23H2,1-2,4-8H3/t28?,29-,32-,33+,38-,39-,40+/m1/s1 |
| InChIKey | FIHLJEHTQITJRC-INRNLMEUSA-N |
| Mol Weight | 627.9 g/mol |
| Molecular Formula | C40H53NO5 |
| Exact Mass | 627.392374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qhGlRPGmOO |
|---|---|
| Name | 3-BETA-HYDROXYLANOSTA-7,9(11),24(31)-TRIEN-21-OIC-ACID-METHANE-N-PHTHALIMIDYLESTER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H53NO5 |
| InChI | InChI=1S/C40H53NO5/c1-24(2)25(3)13-14-28(36(45)46-23-41-34(43)26-11-9-10-12-27(26)35(41)44)29-17-21-40(8)31-15-16-32-37(4,5)33(42)19-20-38(32,6)30(31)18-22-39(29,40)7/h9-12,15,18,24,28-29,32-33,42H,3,13-14,16-17,19-23H2,1-2,4-8H3/t28?,29-,32-,33+,38-,39-,40+/m1/s1 |
| InChIKey | FIHLJEHTQITJRC-INRNLMEUSA-N |
| Literature Reference Author | T.TAI,A.AKAHORI,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,32,1239(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95099-4 |
| Molecular Weight | 627.865 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6393 |