| SpectraBase Compound ID | 7mt8WZT9s25 |
|---|---|
| InChI | InChI=1S/C40H54O24/c1-55-23-11-16(3-6-19(23)43)4-7-26(47)62-34-25(15-59-37-31(52)27(48)21(45)13-57-37)61-40(56-9-8-17-2-5-18(42)20(44)10-17)36(64-38-32(53)28(49)22(46)14-58-38)35(34)63-39-33(54)30(51)29(50)24(12-41)60-39/h2-7,10-11,21-22,24-25,27-46,48-54H,8-9,12-15H2,1H3/b7-4+/t21-,22+,24+,25+,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,39-,40+/m0/s1 |
| InChIKey | QELCQHZMSNOQKE-HWZWEZANSA-N |
| Mol Weight | 918.8 g/mol |
| Molecular Formula | C40H54O24 |
| Exact Mass | 918.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DDSqEMiWCi |
|---|---|
| Name | LAVAUDIOSIDE_C |
| Compound Number | 8D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O24 |
| InChI | InChI=1S/C40H54O24/c1-55-23-11-16(3-6-19(23)43)4-7-26(47)62-34-25(15-59-37-31(52)27(48)21(45)13-57-37)61-40(56-9-8-17-2-5-18(42)20(44)10-17)36(64-38-32(53)28(49)22(46)14-58-38)35(34)63-39-33(54)30(51)29(50)24(12-41)60-39/h2-7,10-11,21-22,24-25,27-46,48-54H,8-9,12-15H2,1H3/b7-4+/t21-,22+,24+,25+,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,39-,40+/m0/s1 |
| InChIKey | QELCQHZMSNOQKE-HWZWEZANSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,74,1477(2011) |
| Literature Reference DOI | 10.1021/np200233p |
| Molecular Weight | 918.854 g/mol |
| Sample ID | 38494 |
| Solvent | CD3OD |