| SpectraBase Compound ID | JprObiRwSx2 |
|---|---|
| InChI | InChI=1S/C27H39NO7/c1-12(2)20(28)24(32)34-23-14(4)26(33)18-8-13(3)21(31)17(18)9-16(11-29)10-19(26)22-25(6,7)27(22,23)35-15(5)30/h8,10,12,14,17-20,22-23,29,33H,9,11,28H2,1-7H3/t14-,17-,18-,19+,20-,22-,23-,26+,27-/m1/s1 |
| InChIKey | RGCBOFPIKPNTED-AZEXYOKESA-N |
| Mol Weight | 489.6 g/mol |
| Molecular Formula | C27H39NO7 |
| Exact Mass | 489.272653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cw2ltRLBaBx |
|---|---|
| Name | 12-(R-VALINOYL)-13-ACETYL-4-ALPHA-4-DEOXYPHORBOL |
| Compound Number | 3I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H39NO7 |
| InChI | InChI=1S/C27H39NO7/c1-12(2)20(28)24(32)34-23-14(4)26(33)18-8-13(3)21(31)17(18)9-16(11-29)10-19(26)22-25(6,7)27(22,23)35-15(5)30/h8,10,12,14,17-20,22-23,29,33H,9,11,28H2,1-7H3/t14-,17-,18-,19+,20-,22-,23-,26+,27-/m1/s1 |
| InChIKey | RGCBOFPIKPNTED-AZEXYOKESA-N |
| Literature Reference Author | A.PAGANI,C.NAVARRETE,B.L.FIEBICH,E.MUNOZ,G.APPENDINO |
| Literature Reference Citation | J.NAT.PROD.,73,447(2010) |
| Literature Reference DOI | 10.1021/np9006553 |
| Molecular Weight | 489.609 g/mol |
| Sample ID | 35107 |
| Solvent | CDCl3 |