| SpectraBase Compound ID | 5sxie0TXky9 |
|---|---|
| InChI | InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23?,24?,25-,26+,27+,29+,32+,33+/m1/s1 |
| InChIKey | LPVJWXJBZPCDLM-GOKDLCQXSA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C33H40O10 |
| Exact Mass | 596.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TAt4eFnaVU |
|---|---|
| Name | 2-EPI-INGOL-3,8,12-TRIACETATE-7-BENZOATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O10 |
| InChI | InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23?,24?,25-,26+,27+,29+,32+,33+/m1/s1 |
| InChIKey | LPVJWXJBZPCDLM-GOKDLCQXSA-N |
| Literature Reference Author | T.MORGENSTERN,M.BITTNER,M.SILVA,P.AQUEVEQUE,J.JAKUPOVIC |
| Literature Reference Citation | PHYTOCHEM.,41,1149(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00752-0 |
| Molecular Weight | 596.675 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4276 |