| SpectraBase Compound ID | BRzMcQlSCgt |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-6-7-8-9-10-11-14-27(39)15-12-13-16-30(40)45-35-19-24(3)36(43)28(31(35)33(35,5)22-44-25(4)38)18-26(21-37)20-34(42)29(36)17-23(2)32(34)41/h12-13,15-18,24,27-29,31,37,39,42-43H,6-11,14,19-22H2,1-5H3/b15-12+,16-13+/t24-,27+,28+,29-,31-,33-,34-,35+,36-/m1/s1 |
| InChIKey | YTMXKWFNNGHMHW-PNALPAFPSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C36H52O9 |
| Exact Mass | 628.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvRZXRqGBOn |
|---|---|
| Name | SAPINSIGNOID_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O9 |
| InChI | InChI=1S/C36H52O9/c1-6-7-8-9-10-11-14-27(39)15-12-13-16-30(40)45-35-19-24(3)36(43)28(31(35)33(35,5)22-44-25(4)38)18-26(21-37)20-34(42)29(36)17-23(2)32(34)41/h12-13,15-18,24,27-29,31,37,39,42-43H,6-11,14,19-22H2,1-5H3/b15-12+,16-13+/t24-,27+,28+,29-,31-,33-,34-,35+,36-/m1/s1 |
| InChIKey | YTMXKWFNNGHMHW-PNALPAFPSA-N |
| Literature Reference Author | H.B.LIU,H.ZHANG,J.H.YU,C.H.XU,J.DING,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,75,722(2012) |
| Literature Reference DOI | 10.1021/np300004y |
| Molecular Weight | 628.803 g/mol |
| Sample ID | 40318 |
| Solvent | CDCl3 |