| SpectraBase Compound ID | GtFbn3jKsr9 |
|---|---|
| InChI | InChI=1S/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17-,19-,20+,21+,22-,23+,24-,25-,27+,28+,29+,30+,31-,32+/m1/s1 |
| InChIKey | SKISMDCNTKLSHQ-LZTRGYLQSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C32H44O11 |
| Exact Mass | 604.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4mcCgShokv |
|---|---|
| Name | PIMELOTIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O11 |
| InChI | InChI=1S/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17-,19-,20+,21+,22-,23+,24-,25-,27+,28+,29+,30+,31-,32+/m1/s1 |
| InChIKey | SKISMDCNTKLSHQ-LZTRGYLQSA-N |
| Literature Reference Author | P.Y.HAYES,S.CHOW,M.J.SOMERVILLE,J.J.DEVOSS,M.T.FLETCHER |
| Literature Reference Citation | J.NAT.PROD.,72,2081(2009) |
| Literature Reference DOI | 10.1021/np900573k |
| Molecular Weight | 604.695 g/mol |
| Sample ID | 34159 |
| Solvent | CDCl3 |