![12-O-[(2-R)-N,N-DIMETHYL-3-METHYLBUTANOYL]-20-PARA-BROMOBENZYOL-4-DEOXYPHORBOL_13-ACETATE](/api/spectrum/CjchYmQuPsc/structure.png?h=300&w=458 "12-O-[(2-R)-N,N-DIMETHYL-3-METHYLBUTANOYL]-20-PARA-BROMOBENZYOL-4-DEOXYPHORBOL_13-ACETATE")
| SpectraBase Compound ID | I4ls9ixD45J |
|---|---|
| InChI | InChI=1S/C36H46BrNO8/c1-18(2)28(38(8)9)33(42)45-31-20(4)35(43)26-14-19(3)29(40)25(26)15-22(17-44-32(41)23-10-12-24(37)13-11-23)16-27(35)30-34(6,7)36(30,31)46-21(5)39/h10-14,16,18,20,25-28,30-31,43H,15,17H2,1-9H3/t20-,25-,26-,27+,28-,30-,31-,35+,36-/m1/s1 |
| InChIKey | MCJBCFXXNYAZDO-ZDJIBUNCSA-N |
| Mol Weight | 700.7 g/mol |
| Molecular Formula | C36H46BrNO8 |
| Exact Mass | 699.24068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjchYmQuPsc |
|---|---|
| Name | 12-O-[(2-R)-N,N-DIMETHYL-3-METHYLBUTANOYL]-20-PARA-BROMOBENZYOL-4-DEOXYPHORBOL_13-ACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46BrNO8 |
| InChI | InChI=1S/C36H46BrNO8/c1-18(2)28(38(8)9)33(42)45-31-20(4)35(43)26-14-19(3)29(40)25(26)15-22(17-44-32(41)23-10-12-24(37)13-11-23)16-27(35)30-34(6,7)36(30,31)46-21(5)39/h10-14,16,18,20,25-28,30-31,43H,15,17H2,1-9H3/t20-,25-,26-,27+,28-,30-,31-,35+,36-/m1/s1 |
| InChIKey | MCJBCFXXNYAZDO-ZDJIBUNCSA-N |
| Literature Reference Author | M.Y.RIOS,A.B.AGUILAR-GUADARRAMA |
| Literature Reference Citation | J.NAT.PROD.,69,887(2006) |
| Literature Reference DOI | 10.1021/np0504311 |
| Molecular Weight | 700.667 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18537 |