| SpectraBase Compound ID | 5EHallgrkv4 |
|---|---|
| InChI | InChI=1S/C26H41ClO9/c1-13(2)17-10-20(34-15(4)29)26(32,12-27)22-18-11-24(6,31)19(33-14(3)28)8-9-25(7,36-16(5)30)23(35-18)21(17)22/h13,17-23,31-32H,8-12H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | MYALRPVEAYVMAK-VIGGNCANSA-N |
| Mol Weight | 533.1 g/mol |
| Molecular Formula | C26H41ClO9 |
| Exact Mass | 532.243911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gknBpLkMui |
|---|---|
| Name | KLYMOLLIN_K |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H41ClO9 |
| InChI | InChI=1S/C26H41ClO9/c1-13(2)17-10-20(34-15(4)29)26(32,12-27)22-18-11-24(6,31)19(33-14(3)28)8-9-25(7,36-16(5)30)23(35-18)21(17)22/h13,17-23,31-32H,8-12H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | MYALRPVEAYVMAK-VIGGNCANSA-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 | 533.059 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43155 |