| SpectraBase Compound ID | 5aAPLtup0Ml |
|---|---|
| InChI | InChI=1S/C34H39NO12/c1-19(36)42-18-33-26(45-29(39)22-11-8-7-9-12-22)15-24-27(44-21(3)38)34(33,47-31(24,4)5)32(6,41)16-25(43-20(2)37)28(33)46-30(40)23-13-10-14-35-17-23/h7-14,17,24-28,41H,15-16,18H2,1-6H3/t24-,25+,26+,27-,28+,32-,33-,34+/m1/s1 |
| InChIKey | YDMQFVLNJYKGRK-HWWRFGMVSA-N |
| Mol Weight | 653.7 g/mol |
| Molecular Formula | C34H39NO12 |
| Exact Mass | 653.247226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oWssFdIDhl |
|---|---|
| Name | 1-ALPHA-NICOTINOYLOXY-2-ALPHA-ACETOXY-6-BETA-ACETOXY-9-BETA-BENZOYLOXY-11-ACETOXY-4-BETA-HYDROXYDIHYDRO-BETA-AGAROFURAN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H39NO12 |
| InChI | InChI=1S/C34H39NO12/c1-19(36)42-18-33-26(45-29(39)22-11-8-7-9-12-22)15-24-27(44-21(3)38)34(33,47-31(24,4)5)32(6,41)16-25(43-20(2)37)28(33)46-30(40)23-13-10-14-35-17-23/h7-14,17,24-28,41H,15-16,18H2,1-6H3/t24-,25+,26+,27-,28+,32-,33-,34+/m1/s1 |
| InChIKey | YDMQFVLNJYKGRK-HWWRFGMVSA-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 | 653.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ21089 |