| SpectraBase Compound ID | ETMtxDwDYxB |
|---|---|
| InChI | InChI=1S/C31H42O11/c1-15-8-24(34)31(37)27(39-15)41-21-10-18-4-5-20-19(29(18,14-32)11-22(21)42-31)6-7-28(3)26(17-9-25(35)38-13-17)23(40-16(2)33)12-30(20,28)36/h9,14-15,18-24,26-27,34,36-37H,4-8,10-13H2,1-3H3/t15-,18+,19+,20-,21-,22-,23-,24-,26+,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | BMPDNBQADRWROC-UGLGPMQLSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C31H42O11 |
| Exact Mass | 590.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ih6AXOVPo75 |
|---|---|
| Name | 16-ALPHA-ACETOXYCALACTIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O11 |
| InChI | InChI=1S/C31H42O11/c1-15-8-24(34)31(37)27(39-15)41-21-10-18-4-5-20-19(29(18,14-32)11-22(21)42-31)6-7-28(3)26(17-9-25(35)38-13-17)23(40-16(2)33)12-30(20,28)36/h9,14-15,18-24,26-27,34,36-37H,4-8,10-13H2,1-3H3/t15-,18+,19+,20-,21-,22-,23-,24-,26+,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | BMPDNBQADRWROC-UGLGPMQLSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,37,801(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90361-3 |
| Molecular Weight | 590.668 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23475 |