| SpectraBase Compound ID | CDppfYMppGS |
|---|---|
| InChI | InChI=1S/C35H52O7/c1-8-10-11-12-13-14-15-16-28(36)42-34-19-24(5)35(40)26(29(34)32(34,6)7)18-25(21-41-31(38)22(3)9-2)20-33(39)27(35)17-23(4)30(33)37/h9,17-18,24,26-27,29,39-40H,8,10-16,19-21H2,1-7H3/b22-9-/t24-,26+,27-,29-,33-,34+,35-/m1/s1 |
| InChIKey | YDVRXNFFGISMAW-HPBOIVEASA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C35H52O7 |
| Exact Mass | 584.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APTUijaiRLb |
|---|---|
| Name | 13-O-DECANOYL-20-O-ANGELYL-12-DEOXY-PHORBOL |
| Compound Number | 112 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O7 |
| InChI | InChI=1S/C35H52O7/c1-8-10-11-12-13-14-15-16-28(36)42-34-19-24(5)35(40)26(29(34)32(34,6)7)18-25(21-41-31(38)22(3)9-2)20-33(39)27(35)17-23(4)30(33)37/h9,17-18,24,26-27,29,39-40H,8,10-16,19-21H2,1-7H3/b22-9-/t24-,26+,27-,29-,33-,34+,35-/m1/s1 |
| InChIKey | YDVRXNFFGISMAW-HPBOIVEASA-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 | 584.794 g/mol |
| Sample ID | 69992 |
| Solvent | CDCl3 |