| SpectraBase Compound ID | F8NOxAfEia4 |
|---|---|
| InChI | InChI=1S/C41H40O10/c1-24-20-39-25(2)21-40(51-37(47)28-17-11-6-12-18-28)31(38(40,3)23-49-35(45)26-13-7-4-8-14-26)30(33(39)44)19-29(22-42)32(43)41(39,48)34(24)50-36(46)27-15-9-5-10-16-27/h4-20,25,30-32,34,42-43,48H,21-23H2,1-3H3/t25-,30+,31-,32-,34+,38+,39+,40+,41+/m1/s1 |
| InChIKey | NAWYIUSETIIFQL-UZZABKSLSA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C41H40O10 |
| Exact Mass | 692.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ie4vhDKHEuB |
|---|---|
| Name | 3-O-BENZOYL-13,17-DIBENZOYLOXY-INGENOL |
| Compound Number | 76 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H40O10 |
| InChI | InChI=1S/C41H40O10/c1-24-20-39-25(2)21-40(51-37(47)28-17-11-6-12-18-28)31(38(40,3)23-49-35(45)26-13-7-4-8-14-26)30(33(39)44)19-29(22-42)32(43)41(39,48)34(24)50-36(46)27-15-9-5-10-16-27/h4-20,25,30-32,34,42-43,48H,21-23H2,1-3H3/t25-,30+,31-,32-,34+,38+,39+,40+,41+/m1/s1 |
| InChIKey | NAWYIUSETIIFQL-UZZABKSLSA-N |
| Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
| Literature Reference Citation | MOLECULES,14,4454(2009) |
| Literature Reference DOI | 10.3390/molecules14114454 |
| Molecular Weight | 692.763 g/mol |
| Sample ID | 69956 |
| Solvent | CDCl3 |