| SpectraBase Compound ID | GISbryNu1iA |
|---|---|
| InChI | InChI=1S/C40H50O14/c1-11-20(4)33(46)52-35-37(8)18-39(53-21(5)41)38(9,25(37)16-26(43)48-10)24-12-14-36(7)28(29(44)34(47)50-30(36)23-13-15-49-17-23)27(24)31(51-32(45)19(2)3)40(35,39)54-22(6)42/h11,13,15,17,19,24-25,29-31,35,44H,12,14,16,18H2,1-10H3/b20-11+/t24?,25-,29+,30-,31-,35-,36+,37-,38+,39+,40+/m0/s1 |
| InChIKey | KMCYMYLMRRFJCC-QMQYNTSLSA-N |
| Mol Weight | 754.8 g/mol |
| Molecular Formula | C40H50O14 |
| Exact Mass | 754.320056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12unpMEKnoI |
|---|---|
| Name | 1,2-DIACETYLTRICHAGMALIN_C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H50O14 |
| InChI | InChI=1S/C40H50O14/c1-11-20(4)33(46)52-35-37(8)18-39(53-21(5)41)38(9,25(37)16-26(43)48-10)24-12-14-36(7)28(29(44)34(47)50-30(36)23-13-15-49-17-23)27(24)31(51-32(45)19(2)3)40(35,39)54-22(6)42/h11,13,15,17,19,24-25,29-31,35,44H,12,14,16,18H2,1-10H3/b20-11+/t24?,25-,29+,30-,31-,35-,36+,37-,38+,39+,40+/m0/s1 |
| InChIKey | KMCYMYLMRRFJCC-QMQYNTSLSA-N |
| Literature Reference Author | Q.ZHANG,Y.T.DI,H.P.HE,X.FANG,D.L.CHEN,X.H.YAN,F.ZHU,T.Q.YANG ,L.L.LIU,X.J.HAO |
| Literature Reference Citation | J.NAT.PROD.,74,152(2011) |
| Literature Reference DOI | 10.1021/np100428u |
| Molecular Weight | 754.829 g/mol |
| Sample ID | 37593 |
| Solvent | CDCl3 |