| SpectraBase Compound ID | 52otOYoEBl2 |
|---|---|
| InChI | InChI=1S/C38H46O12/c1-19(2)21-7-9-25-31(43)27(47-33(25)45)15-35(5)17-29(41)37(49-35,13-23(39)11-21)38-14-24(40)12-22(20(3)4)8-10-26-32(44)28(48-34(26)46)16-36(6,50-38)18-30(38)42/h9-10,21-22,27-28,31-32,43-44H,1,3,7-8,11-18H2,2,4-6H3/b25-9-,26-10-/t21-,22-,27+,28+,31-,32-,35-,36-,37+,38?/m1/s1 |
| InChIKey | FXEJDUUESSLRKF-ZSPNNOKQSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C38H46O12 |
| Exact Mass | 694.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD4BIU056am |
|---|---|
| Name | SINULOCHMODIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H46O12 |
| InChI | InChI=1S/C38H46O12/c1-19(2)21-7-9-25-31(43)27(47-33(25)45)15-35(5)17-29(41)37(49-35,13-23(39)11-21)38-14-24(40)12-22(20(3)4)8-10-26-32(44)28(48-34(26)46)16-36(6,50-38)18-30(38)42/h9-10,21-22,27-28,31-32,43-44H,1,3,7-8,11-18H2,2,4-6H3/b25-9-,26-10-/t21-,22-,27+,28+,31-,32-,35-,36-,37+,38?/m1/s1 |
| InChIKey | FXEJDUUESSLRKF-ZSPNNOKQSA-N |
| Literature Reference Author | Y.J.TSENG,A.F.AHMED,C.F.DAI,M.Y.CHIANG,J.H.SHEU |
| Literature Reference Citation | ORG.LETTERS,7,3813(2005) |
| Literature Reference DOI | 10.1021/ol051513j |
| Molecular Weight | 694.776 g/mol |
| Sample ID | 62646 |
| Solvent | CDCl3 |