| SpectraBase Compound ID | Ha8wO4kddUZ |
|---|---|
| InChI | InChI=1S/C42H64O10/c1-11-12-13-14-15-16-17-18-19-20-33(45)52-41-23-27(5)40-22-26(4)36(51-38(47)28(6)25(2)3)42(40,48)37(50-30(8)44)31(24-49-29(7)43)21-32(35(40)46)34(41)39(41,9)10/h21-22,25,27-28,32,34,36-37,48H,11-20,23-24H2,1-10H3/t27-,28?,32+,34-,36+,37-,40+,41+,42-/m1/s1 |
| InChIKey | XQBNEDMERAQDCL-NTRHISLLSA-N |
| Mol Weight | 729.0 g/mol |
| Molecular Formula | C42H64O10 |
| Exact Mass | 728.449948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4r9W0BWulcN |
|---|---|
| Name | 5,20-O-DIACETYL-3-O-(2'',3''-DIMETHYLBUTANOYL)-13-O-DODECANOYL-INGENOL |
| Compound Number | 49 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O10 |
| InChI | InChI=1S/C42H64O10/c1-11-12-13-14-15-16-17-18-19-20-33(45)52-41-23-27(5)40-22-26(4)36(51-38(47)28(6)25(2)3)42(40,48)37(50-30(8)44)31(24-49-29(7)43)21-32(35(40)46)34(41)39(41,9)10/h21-22,25,27-28,32,34,36-37,48H,11-20,23-24H2,1-10H3/t27-,28?,32+,34-,36+,37-,40+,41+,42-/m1/s1 |
| InChIKey | XQBNEDMERAQDCL-NTRHISLLSA-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 | 728.964 g/mol |
| Sample ID | 69929 |
| Solvent | CDCl3 |