| SpectraBase Compound ID | 1IfcsgMk0rt |
|---|---|
| InChI | InChI=1S/C35H43NO13/c1-8-19(2)29(39)44-18-34-26(47-31(41)23-11-13-43-17-23)14-24-27(46-21(4)38)35(34,49-32(24,5)6)33(7,42)15-25(45-20(3)37)28(34)48-30(40)22-10-9-12-36-16-22/h9-13,16-17,19,24-28,42H,8,14-15,18H2,1-7H3/t19?,24-,25+,26+,27-,28+,33+,34-,35+/m1/s1 |
| InChIKey | BWSPPDAIDNDAGQ-KWOKLJKYSA-N |
| Mol Weight | 685.7 g/mol |
| Molecular Formula | C35H43NO13 |
| Exact Mass | 685.27344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 835m3qKIYce |
|---|---|
| Name | 1-ALPHA-NICOTINOYLOXY-2-ALPHA-ACETOXY-6-BETA-ACETOXY-9-BETA-FUROYLOXY-11-(2-METHYL)-BUTYRYLOXY-4-BETA-HYDROXYDIHYDRO-BETA-AGAROFURAN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2023 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H43NO13 |
| InChI | InChI=1S/C35H43NO13/c1-8-19(2)29(39)44-18-34-26(47-31(41)23-11-13-43-17-23)14-24-27(46-21(4)38)35(34,49-32(24,5)6)33(7,42)15-25(45-20(3)37)28(34)48-30(40)22-10-9-12-36-16-22/h9-13,16-17,19,24-28,42H,8,14-15,18H2,1-7H3/t19?,24-,25+,26+,27-,28+,33+,34-,35+/m1/s1 |
| InChIKey | BWSPPDAIDNDAGQ-KWOKLJKYSA-N |
| Literature Reference Author | J.K.LIU,Z.J.JIA,D.G.WU,J.ZHOU,Q.G.WANG |
| Literature Reference Citation | PHYTOCHEM.,29,2503(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85175-F |
| Molecular Weight | 685.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ21087 |