| SpectraBase Compound ID | 1xrqvWfiKfU |
|---|---|
| InChI | InChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30+,31-,32-,33+/m0/s1 |
| InChIKey | LZUPONYGHMLQEQ-XIBSZNTPSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C33H42O12 |
| Exact Mass | 630.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64IGavUZdQY |
|---|---|
| Name | TRIGONOSIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O12 |
| InChI | InChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30+,31-,32-,33+/m0/s1 |
| InChIKey | LZUPONYGHMLQEQ-XIBSZNTPSA-N |
| Literature Reference Author | S.F.LI,Y.T.DI,S.L.LI,Y.ZHANG,F.M.YANG,Q.Y.SUN,J.M.SIMO,H.P.H E,X.J.HAO |
| Literature Reference Citation | J.NAT.PROD.,74,464(2011) |
| Literature Reference DOI | 10.1021/np1006444 |
| Molecular Weight | 630.689 g/mol |
| Sample ID | 37604 |
| Solvent | CDCl3 |