| SpectraBase Compound ID | KdkA6A249xF |
|---|---|
| InChI | InChI=1S/C40H46O13/c1-20(2)38-31(48-24(6)42)22(4)39-28-19-21(3)30(47-23(5)41)37(28,46)35(50-34(44)26-15-11-9-12-16-26)36(8,45)32(49-25(7)43)29(39)33(38)51-40(52-38,53-39)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28+,29-,30-,31-,32-,33+,35+,36+,37+,38-,39-,40+/m0/s1 |
| InChIKey | OFOHNNXIPQIVSD-DPVJXVFESA-N |
| Mol Weight | 734.8 g/mol |
| Molecular Formula | C40H46O13 |
| Exact Mass | 734.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6tTyVDze6u |
|---|---|
| Name | TRIGOHETERIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O13 |
| InChI | InChI=1S/C40H46O13/c1-20(2)38-31(48-24(6)42)22(4)39-28-19-21(3)30(47-23(5)41)37(28,46)35(50-34(44)26-15-11-9-12-16-26)36(8,45)32(49-25(7)43)29(39)33(38)51-40(52-38,53-39)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28+,29-,30-,31-,32-,33+,35+,36+,37+,38-,39-,40+/m0/s1 |
| InChIKey | OFOHNNXIPQIVSD-DPVJXVFESA-N |
| Literature Reference Author | S.H.DONG,H.B.LIU,C.H.XU,J.DING,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,74,2576(2011) |
| Literature Reference DOI | 10.1021/np200772n |
| Molecular Weight | 734.797 g/mol |
| Sample ID | 39679 |
| Solvent | CDCl3 |