| SpectraBase Compound ID | HC5YllOua9J |
|---|---|
| InChI | InChI=1S/C44H50O16/c1-22(2)43(59-28(8)49)33(56-36(50)29-17-13-11-14-18-29)23(3)42(52)31-21-40(9,58-27(7)48)38(57-37(51)30-19-15-12-16-20-30)44(31)39(55-26(6)47)41(10,60-44)34(53-24(4)45)32(42)35(43)54-25(5)46/h11-20,23,31-35,38-39,52H,1,21H2,2-10H3/t23-,31+,32+,33+,34+,35-,38+,39-,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | PIAAJFVSOYDPBR-BIPMCJKGSA-N |
| Mol Weight | 834.9 g/mol |
| Molecular Formula | C44H50O16 |
| Exact Mass | 834.309886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuzUVelTvqz |
|---|---|
| Name | TRIGOHETERIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O16 |
| InChI | InChI=1S/C44H50O16/c1-22(2)43(59-28(8)49)33(56-36(50)29-17-13-11-14-18-29)23(3)42(52)31-21-40(9,58-27(7)48)38(57-37(51)30-19-15-12-16-20-30)44(31)39(55-26(6)47)41(10,60-44)34(53-24(4)45)32(42)35(43)54-25(5)46/h11-20,23,31-35,38-39,52H,1,21H2,2-10H3/t23-,31+,32+,33+,34+,35-,38+,39-,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | PIAAJFVSOYDPBR-BIPMCJKGSA-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 | 834.871 g/mol |
| Sample ID | 39677 |
| Solvent | CDCl3 |