| SpectraBase Compound ID | LKYqn213TH8 |
|---|---|
| InChI | InChI=1S/C28H43ClO11/c1-13(2)20-21-22(28(35,12-29)25(38-16(5)32)23(20)37-15(4)31)18-11-26(7,34)19(36-14(3)30)9-10-27(8,24(21)39-18)40-17(6)33/h13,18-25,34-35H,9-12H2,1-8H3/t18-,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-/m1/s1 |
| InChIKey | YMBPQCOCUHBPTR-SEQDWNMISA-N |
| Mol Weight | 591.1 g/mol |
| Molecular Formula | C28H43ClO11 |
| Exact Mass | 590.24939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHicllHCG21 |
|---|---|
| Name | KLYMOLLIN_I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H43ClO11 |
| InChI | InChI=1S/C28H43ClO11/c1-13(2)20-21-22(28(35,12-29)25(38-16(5)32)23(20)37-15(4)31)18-11-26(7,34)19(36-14(3)30)9-10-27(8,24(21)39-18)40-17(6)33/h13,18-25,34-35H,9-12H2,1-8H3/t18-,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-/m1/s1 |
| InChIKey | YMBPQCOCUHBPTR-SEQDWNMISA-N |
| Literature Reference Author | M.C.LIN,B.W.CHEN,C.Y.HUANG,C.F.DAI,T.L.HWANG,J.H.SHEU |
| Literature Reference Citation | J.NAT.PROD.,76,1661(2013) |
| Literature Reference DOI | 10.1021/np400372v |
| Molecular Weight | 591.096 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43153 |