![RUPESTIN_A;CYCLIC_3''->9':6''->9-[(7'-S,8'-R)-4,4'-DIHYDROXY-3,5-DIMETHOXY-2,7'-CYCLOLIGNA-7-ENE-9,9'-DICARBONYL]-6'''-ACETYLSUCROSIDE](/api/spectrum/2vlt6oasTBG/structure.png?h=300&w=458 "RUPESTIN_A;CYCLIC_3''->9':6''->9-[(7'-S,8'-R)-4,4'-DIHYDROXY-3,5-DIMETHOXY-2,7'-CYCLOLIGNA-7-ENE-9,9'-DICARBONYL]-6'''-ACETYLSUCROSIDE")
| SpectraBase Compound ID | 43tFvKhbCZL |
|---|---|
| InChI | InChI=1S/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20+,21-,23-,24-,26+,27+,28-,30-,33-,34-/m0/s1 |
| InChIKey | SRNQCBWVXAEHOG-PWGBLVBESA-N |
| Mol Weight | 734.7 g/mol |
| Molecular Formula | C34H38O18 |
| Exact Mass | 734.205814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vlt6oasTBG |
|---|---|
| Name | RUPESTIN_A;CYCLIC_3''->9':6''->9-[(7'-S,8'-R)-4,4'-DIHYDROXY-3,5-DIMETHOXY-2,7'-CYCLOLIGNA-7-ENE-9,9'-DICARBONYL]-6'''-ACETYLSUCROSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O18 |
| InChI | InChI=1S/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20+,21-,23-,24-,26+,27+,28-,30-,33-,34-/m0/s1 |
| InChIKey | SRNQCBWVXAEHOG-PWGBLVBESA-N |
| Literature Reference Author | M.R.SUO,J.S.YANG,Q.H.LIU |
| Literature Reference Citation | J.NAT.PROD.,69,682(2006) |
| Literature Reference DOI | 10.1021/np050442u |
| Molecular Weight | 734.665 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18301 |