| SpectraBase Compound ID | 9Vqt7w2Rrw1 |
|---|---|
| InChI | InChI=1S/C43H72O4/c1-30(2)14-10-15-31(3)16-11-17-32(4)18-12-19-33(5)23-27-46-38(44)28-39(45)47-40-35-20-21-37-42(9)25-13-24-41(7,8)36(42)22-26-43(37,40)29-34(35)6/h23,30-32,35-37,40H,6,10-22,24-29H2,1-5,7-9H3/b33-23+/t31?,32?,35-,36+,37-,40+,42+,43-/m0/s1 |
| InChIKey | JXFPUPKXDJCUDW-PBMCNWIYSA-N |
| Mol Weight | 653.0 g/mol |
| Molecular Formula | C43H72O4 |
| Exact Mass | 652.543061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IoDvuoWJ1AJ |
|---|---|
| Name | (14R)-ENT-KAUR-16-EN-14-YL-PHYTYL-MALONATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O4 |
| InChI | InChI=1S/C43H72O4/c1-30(2)14-10-15-31(3)16-11-17-32(4)18-12-19-33(5)23-27-46-38(44)28-39(45)47-40-35-20-21-37-42(9)25-13-24-41(7,8)36(42)22-26-43(37,40)29-34(35)6/h23,30-32,35-37,40H,6,10-22,24-29H2,1-5,7-9H3/b33-23+/t31?,32?,35-,36+,37-,40+,42+,43-/m0/s1 |
| InChIKey | JXFPUPKXDJCUDW-PBMCNWIYSA-N |
| Literature Reference Author | U.LANGENBAHN,G.BURKHARDT,H.BECKER |
| Literature Reference Citation | PHYTOCHEM.,33,1173(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85044-R |
| Molecular Weight | 653.042 g/mol |
| Solvent | CDCl3 |