| SpectraBase Compound ID | 60pbQDunlKJ |
|---|---|
| InChI | InChI=1S/C23H30O9/c1-9(2)20(25)31-16-14-12(6)22(27)29-13(14)8-11(5)15-17(30-15)18(24)23(7,28)19(16)32-21(26)10(3)4/h10-11,13-17,19,28H,1,6,8H2,2-5,7H3/t11-,13-,14+,15+,16+,17+,19-,23+/m1/s1 |
| InChIKey | KNCNIIMORRCROK-VPTIGGDOSA-N |
| Mol Weight | 450.48 g/mol |
| Molecular Formula | C23H30O9 |
| Exact Mass | 450.188983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7D4h0eUp8C4 |
|---|---|
| Name | 2,3-EPOXY-CALEALACTONE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30O9 |
| InChI | InChI=1S/C23H30O9/c1-9(2)20(25)31-16-14-12(6)22(27)29-13(14)8-11(5)15-17(30-15)18(24)23(7,28)19(16)32-21(26)10(3)4/h10-11,13-17,19,28H,1,6,8H2,2-5,7H3/t11-,13-,14+,15+,16+,17+,19-,23+/m1/s1 |
| InChIKey | KNCNIIMORRCROK-VPTIGGDOSA-N |
| Literature Reference Author | M.YAMADA,N.MATSUURA,H.SUZUKI,C.KUROSAKA,N.HASEGAWA,M.UBUKATA ,T.TANAKA,M.IINUMA |
| Literature Reference Citation | PHYTOCHEM.,65,3107(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.08.040 |
| Molecular Weight | 450.486 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN30138 |