| SpectraBase Compound ID | D6NXp0VPM8A |
|---|---|
| InChI | InChI=1S/C33H38O9/c1-21(34)40-25-17-18-31(4,38)33-28(36)24(30(2,3)42-33)19-26(41-29(37)23-13-9-6-10-14-23)32(25,33)20-39-27(35)16-15-22-11-7-5-8-12-22/h5-16,24-26,28,36,38H,17-20H2,1-4H3/b16-15+/t24-,25+,26+,28-,31+,32+,33+/m0/s1 |
| InChIKey | HFAVLOIYMYQWNG-MKQJKNNCSA-N |
| Mol Weight | 578.7 g/mol |
| Molecular Formula | C33H38O9 |
| Exact Mass | 578.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XaQLOeJy4R |
|---|---|
| Name | TWHR-1;1-BETA-ACETOXY-9-ALPHA-BENZOYLOXY-15-CINNAMOYLOXY-4-ALPHA,6-ALPHA-DIHYDROXY-DIHYDROAGAROFURAN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O9 |
| InChI | InChI=1S/C33H38O9/c1-21(34)40-25-17-18-31(4,38)33-28(36)24(30(2,3)42-33)19-26(41-29(37)23-13-9-6-10-14-23)32(25,33)20-39-27(35)16-15-22-11-7-5-8-12-22/h5-16,24-26,28,36,38H,17-20H2,1-4H3/b16-15+/t24-,25+,26+,28-,31+,32+,33+/m0/s1 |
| InChIKey | HFAVLOIYMYQWNG-MKQJKNNCSA-N |
| Literature Reference Author | K.NAKANO,C.YOSHIDA,W.FURUKAWA,Y.TAKAISHI,K.SHISHIDO |
| Literature Reference Citation | PHYTOCHEM.,49,1821(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00300-8 |
| Molecular Weight | 578.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU727 |