| SpectraBase Compound ID | 5EvZcK4jP5O |
|---|---|
| InChI | InChI=1S/C34H50O11/c1-12-17(4)33(39)45-30-27-19(6)25(43-26(37)13-18(5)20(7)41-22(9)35)14-24(34(11)15-40-34)29(27)28(21(8)42-23(10)36)31(30)44-32(38)16(2)3/h13,16-17,20-21,24-25,27-31H,6,12,14-15H2,1-5,7-11H3/b18-13+/t17?,20?,21?,24-,25-,27?,28-,29+,30+,31+,34?/m1/s1 |
| InChIKey | IEBGVYMRRICRPK-VHOIJNNZSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C34H50O11 |
| Exact Mass | 634.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11aRoUlU2xW |
|---|---|
| Name | CRELLISIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O11 |
| InChI | InChI=1S/C34H50O11/c1-12-17(4)33(39)45-30-27-19(6)25(43-26(37)13-18(5)20(7)41-22(9)35)14-24(34(11)15-40-34)29(27)28(21(8)42-23(10)36)31(30)44-32(38)16(2)3/h13,16-17,20-21,24-25,27-31H,6,12,14-15H2,1-5,7-11H3/b18-13+/t17?,20?,21?,24-,25-,27?,28-,29+,30+,31+,34?/m1/s1 |
| InChIKey | IEBGVYMRRICRPK-VHOIJNNZSA-N |
| Literature Reference Author | H.CHEN,Z.J.JIA,R.X.TAN |
| Literature Reference Citation | PLANTA.MED.,63,245(1997) |
| Literature Reference DOI | 10.1055/s-2006-957663 |
| Molecular Weight | 634.764 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP933 |