| SpectraBase Compound ID | 9rO7cFyJEdj |
|---|---|
| InChI | InChI=1S/C36H42O11/c1-7-14(2)27(38)45-13-34(43)21-8-18(21)31(4)22(34)10-17-16(12-37)29(40)46-35(17)23(31)11-33(42)20-9-19(20)32(5)26(33)25(35)24-15(3)28(39)47-36(24,44-6)30(32)41/h7,18-23,30,37,41-43H,8-13H2,1-6H3/b14-7+/t18-,19-,20+,21+,22-,23+,30-,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | QEKDFQHMYVWLIF-HYZASWLWSA-N |
| Mol Weight | 650.7 g/mol |
| Molecular Formula | C36H42O11 |
| Exact Mass | 650.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMD3pmgczWQ |
|---|---|
| Name | CHLORAMULTIOL_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O11 |
| InChI | InChI=1S/C36H42O11/c1-7-14(2)27(38)45-13-34(43)21-8-18(21)31(4)22(34)10-17-16(12-37)29(40)46-35(17)23(31)11-33(42)20-9-19(20)32(5)26(33)25(35)24-15(3)28(39)47-36(24,44-6)30(32)41/h7,18-23,30,37,41-43H,8-13H2,1-6H3/b14-7+/t18-,19-,20+,21+,22-,23+,30-,31+,32+,33+,34+,35+,36+/m1/s1 |
| InChIKey | QEKDFQHMYVWLIF-HYZASWLWSA-N |
| Literature Reference Author | X.H.RAN,F.TENG,C.X.CHEN,G.WEI,X.J.HAO,H.Y.LIU |
| Literature Reference Citation | J.NAT.PROD.,73,972(2010) |
| Literature Reference DOI | 10.1021/np900764n |
| Molecular Weight | 650.723 g/mol |
| Sample ID | 35594 |
| Solvent | CD3OD |