| SpectraBase Compound ID | IztNRGIoAJz |
|---|---|
| InChI | InChI=1S/C30H42O9/c1-15(2)26-13-17(4)29-19-21(26)35-28(38-26,39-29)12-10-8-6-7-9-11-16(3)18-20(29)30(24(33)36-25(18,5)37-30)23(32)27(14-31)22(19)34-27/h16-23,31-32H,1,6-14H2,2-5H3/t16-,17+,18+,19+,20-,21+,22-,23+,25-,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | XRYQMTUHMOLDGS-ISVMKUHRSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C30H42O9 |
| Exact Mass | 546.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87uLWDffMVf |
|---|---|
| Name | PIMETOLIDE_C |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O9 |
| InChI | InChI=1S/C30H42O9/c1-15(2)26-13-17(4)29-19-21(26)35-28(38-26,39-29)12-10-8-6-7-9-11-16(3)18-20(29)30(24(33)36-25(18,5)37-30)23(32)27(14-31)22(19)34-27/h16-23,31-32H,1,6-14H2,2-5H3/t16-,17+,18+,19+,20-,21+,22-,23+,25-,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | XRYQMTUHMOLDGS-ISVMKUHRSA-N |
| Literature Reference Author | P.Y.HAYES,S.CHOW,M.J.SOMERVILLE,M.T.FLETCHER,J.J.DEVOSS |
| Literature Reference Citation | J.NAT.PROD.,73,1907(2010) |
| Literature Reference DOI | 10.1021/np1005746 |
| Molecular Weight | 546.658 g/mol |
| Sample ID | 37089 |
| Solvent | CDCl3 |