| SpectraBase Compound ID | ALVBpzaswTW |
|---|---|
| InChI | InChI=1S/C29H43NO7/c1-14(2)22(30(8)9)26(34)36-25-16(4)28(35)20-10-15(3)23(33)19(20)11-18(13-31)12-21(28)24-27(6,7)29(24,25)37-17(5)32/h10,12,14,16,19-22,24-25,31,35H,11,13H2,1-9H3/t16-,19-,20-,21+,22+,24-,25-,28+,29-/m1/s1 |
| InChIKey | VCEYVQJHAJGATA-ZPRGDDEXSA-N |
| Mol Weight | 517.7 g/mol |
| Molecular Formula | C29H43NO7 |
| Exact Mass | 517.303953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xPVD5MvTQ9 |
|---|---|
| Name | N,N-DIMETHYL-12-(S-VALINOYL)-13-ACETYL-4-ALPHA-4-DEOXYPHORBOL |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H43NO7 |
| InChI | InChI=1S/C29H43NO7/c1-14(2)22(30(8)9)26(34)36-25-16(4)28(35)20-10-15(3)23(33)19(20)11-18(13-31)12-21(28)24-27(6,7)29(24,25)37-17(5)32/h10,12,14,16,19-22,24-25,31,35H,11,13H2,1-9H3/t16-,19-,20-,21+,22+,24-,25-,28+,29-/m1/s1 |
| InChIKey | VCEYVQJHAJGATA-ZPRGDDEXSA-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 | 517.663 g/mol |
| Sample ID | 35105 |
| Solvent | CDCl3 |