| SpectraBase Compound ID | BLBTwh6eEbR |
|---|---|
| InChI | InChI=1S/C35H46O9/c1-5-6-7-8-12-15-26(37)44-34-18-22(3)33-17-21(2)28(38)35(33,42)29(39)24(19-36)16-25(30(33)40)27(34)32(34,4)20-43-31(41)23-13-10-9-11-14-23/h9-11,13-14,16-17,22,25,27-29,36,38-39,42H,5-8,12,15,18-20H2,1-4H3/t22-,25+,27-,28+,29-,32+,33+,34+,35-/m1/s1 |
| InChIKey | WUTJYIDPGJPHSV-AXQMIHOSSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C35H46O9 |
| Exact Mass | 610.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VtYeQRZrJX |
|---|---|
| Name | 17-BENZOYLOXY-13-OCTANOYLOXY-INGENOL |
| Compound Number | 72 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O9 |
| InChI | InChI=1S/C35H46O9/c1-5-6-7-8-12-15-26(37)44-34-18-22(3)33-17-21(2)28(38)35(33,42)29(39)24(19-36)16-25(30(33)40)27(34)32(34,4)20-43-31(41)23-13-10-9-11-14-23/h9-11,13-14,16-17,22,25,27-29,36,38-39,42H,5-8,12,15,18-20H2,1-4H3/t22-,25+,27-,28+,29-,32+,33+,34+,35-/m1/s1 |
| InChIKey | WUTJYIDPGJPHSV-AXQMIHOSSA-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 | 610.745 g/mol |
| Sample ID | 69952 |
| Solvent | CDCl3 |