| SpectraBase Compound ID | C3FNkwypLtR |
|---|---|
| InChI | InChI=1S/C27H36O8/c1-7-13(2)24(32)34-11-17-9-18-20-19(25(20,6)12-28)8-15(4)26(22(18)31)10-14(3)23(35-16(5)29)27(26,33)21(17)30/h7,9-10,15,18-21,23,28,30,33H,8,11-12H2,1-6H3/b13-7-/t15-,18+,19-,20+,21-,23+,25-,26+,27+/m1/s1 |
| InChIKey | MCQHQSRIHKJNHW-KBVRKOEUSA-N |
| Mol Weight | 488.6 g/mol |
| Molecular Formula | C27H36O8 |
| Exact Mass | 488.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8R6aRJWZbRR |
|---|---|
| Name | 3-O-ACETYL-20-O-ANGELOYL-17-HYDROXY-INGENOL |
| Compound Number | 93 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O8 |
| InChI | InChI=1S/C27H36O8/c1-7-13(2)24(32)34-11-17-9-18-20-19(25(20,6)12-28)8-15(4)26(22(18)31)10-14(3)23(35-16(5)29)27(26,33)21(17)30/h7,9-10,15,18-21,23,28,30,33H,8,11-12H2,1-6H3/b13-7-/t15-,18+,19-,20+,21-,23+,25-,26+,27+/m1/s1 |
| InChIKey | MCQHQSRIHKJNHW-KBVRKOEUSA-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 | 488.578 g/mol |
| Sample ID | 69973 |
| Solvent | CDCl3 |