| SpectraBase Compound ID | QfGrDZaqye |
|---|---|
| InChI | InChI=1S/C42H50O10/c1-5-6-7-8-15-20-32(44)52-41-23-27(3)40-22-26(2)36(51-38(48)29-18-13-10-14-19-29)42(40,49)34(45)30(24-43)21-31(35(40)46)33(41)39(41,4)25-50-37(47)28-16-11-9-12-17-28/h9-14,16-19,21-22,27,31,33-34,36,43,45,49H,5-8,15,20,23-25H2,1-4H3/t27-,31+,33-,34-,36+,39+,40+,41+,42+/m1/s1 |
| InChIKey | NNFUSJQVOIASDU-BUIOBAMWSA-N |
| Mol Weight | 714.9 g/mol |
| Molecular Formula | C42H50O10 |
| Exact Mass | 714.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwC3aIzhx1s |
|---|---|
| Name | 3-O-BENZOYL-17-BENZOYLOXY-13-OCTANOYLOXY-INGENOL |
| Compound Number | 78 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50O10 |
| InChI | InChI=1S/C42H50O10/c1-5-6-7-8-15-20-32(44)52-41-23-27(3)40-22-26(2)36(51-38(48)29-18-13-10-14-19-29)42(40,49)34(45)30(24-43)21-31(35(40)46)33(41)39(41,4)25-50-37(47)28-16-11-9-12-17-28/h9-14,16-19,21-22,27,31,33-34,36,43,45,49H,5-8,15,20,23-25H2,1-4H3/t27-,31+,33-,34-,36+,39+,40+,41+,42+/m1/s1 |
| InChIKey | NNFUSJQVOIASDU-BUIOBAMWSA-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 | 714.853 g/mol |
| Sample ID | 69958 |
| Solvent | CDCl3 |