![5,17,20-O-TRIACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-17-HYDROXY-INGENOL](/api/spectrum/2Kmg0VWk24t/structure.png?h=300&w=458 "5,17,20-O-TRIACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-17-HYDROXY-INGENOL")
| SpectraBase Compound ID | 7xthvDfUgfI |
|---|---|
| InChI | InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3/b15-9-/t17-,22+,23-,24+,26+,27-,29-,30+,31-/m1/s1 |
| InChIKey | XMPGMPGSZRUCAL-NKUQUXSJSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C31H40O10 |
| Exact Mass | 572.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Kmg0VWk24t |
|---|---|
| Name | 17-ACETOXY-INGENOL-5,20-DIACETATE-3-ANGELATE |
| Compound Number | 82 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O10 |
| InChI | InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3/b15-9-/t17-,22+,23-,24+,26+,27-,29-,30+,31-/m1/s1 |
| InChIKey | XMPGMPGSZRUCAL-NKUQUXSJSA-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 | 572.653 g/mol |
| Sample ID | 69962 |
| Solvent | CDCl3 |