| SpectraBase Compound ID | AyUuL0P79I5 |
|---|---|
| InChI | InChI=1S/C42H68O7/c1-7-9-11-13-15-16-18-20-22-24-36(44)49-41-27-31(4)42(47)33(37(41)39(41,5)6)26-32(28-40(46)34(42)25-30(3)38(40)45)29-48-35(43)23-21-19-17-14-12-10-8-2/h25-26,31,33-34,37,46-47H,7-24,27-29H2,1-6H3/t31-,33+,34-,37-,40-,41+,42-/m1/s1 |
| InChIKey | HDMGBAIPRPMHLP-WUHTUYPVSA-N |
| Mol Weight | 685.0 g/mol |
| Molecular Formula | C42H68O7 |
| Exact Mass | 684.496505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACpgv0W4BuB |
|---|---|
| Name | 13-O-DODECANOYL-20-O-DECANOYL-12-DEOXY-PHORBOL |
| Compound Number | 111 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O7 |
| InChI | InChI=1S/C42H68O7/c1-7-9-11-13-15-16-18-20-22-24-36(44)49-41-27-31(4)42(47)33(37(41)39(41,5)6)26-32(28-40(46)34(42)25-30(3)38(40)45)29-48-35(43)23-21-19-17-14-12-10-8-2/h25-26,31,33-34,37,46-47H,7-24,27-29H2,1-6H3/t31-,33+,34-,37-,40-,41+,42-/m1/s1 |
| InChIKey | HDMGBAIPRPMHLP-WUHTUYPVSA-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 | 684.998 g/mol |
| Sample ID | 69991 |
| Solvent | CDCl3 |