| SpectraBase Compound ID | Hesbj2wvScx |
|---|---|
| InChI | InChI=1S/C30H36O12/c1-14(31)41-27-13-24(2)19(18(33)21(34)37-5)26(27,4)16-7-9-25(3)20(15-8-10-39-12-15)40-17(32)11-28(25)29(16,36)22(27)30(38-6,42-28)23(24)35/h8,10,12,16,18-20,22,33,36H,7,9,11,13H2,1-6H3/t16-,18-,19+,20-,22-,24+,25+,26-,27+,28-,29+,30-/m1/s1 |
| InChIKey | NMQJXFIRMPATLY-MQXJDBILSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C30H36O12 |
| Exact Mass | 588.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24KQgFsv34H |
|---|---|
| Name | KHAYSENEGANIN_H;2-ALPHA-METHOXYKHAYANOLIDE_E |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36O12 |
| InChI | InChI=1S/C30H36O12/c1-14(31)41-27-13-24(2)19(18(33)21(34)37-5)26(27,4)16-7-9-25(3)20(15-8-10-39-12-15)40-17(32)11-28(25)29(16,36)22(27)30(38-6,42-28)23(24)35/h8,10,12,16,18-20,22,33,36H,7,9,11,13H2,1-6H3/t16-,18-,19+,20-,22-,24+,25+,26-,27+,28-,29+,30-/m1/s1 |
| InChIKey | NMQJXFIRMPATLY-MQXJDBILSA-N |
| Literature Reference Author | C.M.YUAN,Y.ZHANG,G.H.TANG,Y.T.DI,M.M.CAO,X.Y.WANG,G.Y.ZUO,S. L.LI,H.M.HUA,H.P.HE, |
| Literature Reference Citation | J.NAT.PROD.,76,327(2013) |
| Literature Reference DOI | 10.1021/np3006919 |
| Molecular Weight | 588.609 g/mol |
| Sample ID | 42266 |
| Solvent | CDCl3 |