| SpectraBase Compound ID | 4QsQE9ncH2l |
|---|---|
| InChI | InChI=1S/C33H50O4/c1-20-18-33-16-12-24-29(2,3)13-8-14-32(24,7)25(33)10-9-21(20)28(33)37-27(35)17-26(34)36-23-19-31(6)15-11-22(23)30(31,4)5/h21-25,28H,1,8-19H2,2-7H3/t21-,22-,23?,24+,25-,28+,31+,32+,33-/m0/s1 |
| InChIKey | LIEVRGFIDLLQFD-MPCAMUMFSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C33H50O4 |
| Exact Mass | 510.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lwi9Jp61WE |
|---|---|
| Name | (14R)-ENT-KAUR-16-EN-14-YL-EPI-BORNYL-MALONATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O4 |
| InChI | InChI=1S/C33H50O4/c1-20-18-33-16-12-24-29(2,3)13-8-14-32(24,7)25(33)10-9-21(20)28(33)37-27(35)17-26(34)36-23-19-31(6)15-11-22(23)30(31,4)5/h21-25,28H,1,8-19H2,2-7H3/t21-,22-,23?,24+,25-,28+,31+,32+,33-/m0/s1 |
| InChIKey | LIEVRGFIDLLQFD-MPCAMUMFSA-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 | 510.758 g/mol |
| Solvent | CDCl3 |