| SpectraBase Compound ID | CRdkAKUGnQL |
|---|---|
| InChI | InChI=1S/C36H51NO14/c1-19-11-9-7-5-6-8-10-12-24(49-35-33(43)31(37-22(4)38)32(42)21(3)48-35)16-28-30(34(44)45)25(40)18-36(46,51-28)17-23(39)15-27-26(50-27)13-14-29(41)47-20(19)2/h5-14,19-21,23-28,30-33,35,39-40,42-43,46H,15-18H2,1-4H3,(H,37,38)(H,44,45)/b7-5+,8-6+,11-9+,12-10+,14-13+/t19?,20?,21-,23?,24?,25+,26-,27-,28+,30-,31+,32+,33-,35+,36-/m0/s1 |
| InChIKey | KJJQUESGQBEVCI-YORXKOCJSA-N |
| Mol Weight | 721.8 g/mol |
| Molecular Formula | C36H51NO14 |
| Exact Mass | 721.330955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYSwBCvueVR |
|---|---|
| Name | N'-ACETYL-TETRIN_C |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H51NO14 |
| InChI | InChI=1S/C36H51NO14/c1-19-11-9-7-5-6-8-10-12-24(49-35-33(43)31(37-22(4)38)32(42)21(3)48-35)16-28-30(34(44)45)25(40)18-36(46,51-28)17-23(39)15-27-26(50-27)13-14-29(41)47-20(19)2/h5-14,19-21,23-28,30-33,35,39-40,42-43,46H,15-18H2,1-4H3,(H,37,38)(H,44,45)/b7-5+,8-6+,11-9+,12-10+,14-13+/t19?,20?,21-,23?,24?,25+,26-,27-,28+,30-,31+,32+,33-,35+,36-/m0/s1 |
| InChIKey | KJJQUESGQBEVCI-YORXKOCJSA-N |
| Literature Reference Author | G.RYU,W.C.CHOI,S.HWANG,W.H.YEO,C.S.LEE,S.K.KIM |
| Literature Reference Citation | J.NAT.PROD.,62,917(1999) |
| Literature Reference DOI | 10.1021/np9805645 |
| Molecular Weight | 721.799 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ2648 |