| SpectraBase Compound ID | 7cQmTnh3SiD |
|---|---|
| InChI | InChI=1S/C54H84O27S2.2Na/c1-23(2)12-11-17-53(9)44-28(55)20-52(8)27-13-14-31-50(5,6)32(16-18-51(31,7)26(27)15-19-54(44,52)49(63)80-53)76-48-43(35(58)30(21-71-48)81-83(67,68)69)79-45-37(60)36(59)40(25(4)74-45)77-47-39(62)42(34(57)29(75-47)22-72-82(64,65)66)78-46-38(61)41(70-10)33(56)24(3)73-46;;/h13,24-26,29-48,56-62H,1,11-12,14-22H2,2-10H3,(H,64,65,66)(H,67,68,69);;/q;2*+1/p-2/t24-,25+,26+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,51+,52-,53-,54+;;/m0../s1 |
| InChIKey | PRLCHBZSCWFJHE-YTCLMEDRSA-L |
| Mol Weight | 1273.32253856 g/mol |
| Molecular Formula | C54H82Na2O27S2 |
| Exact Mass | 1272.428028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhLaKFXXwh4 |
|---|---|
| Name | LIVOUVILLOSIDE_A_2;3-BETA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-QUINOVOPYRANOSYL-(1-> |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H82Na2O27S2 |
| InChI | InChI=1S/C54H84O27S2.2Na/c1-23(2)12-11-17-53(9)44-28(55)20-52(8)27-13-14-31-50(5,6)32(16-18-51(31,7)26(27)15-19-54(44,52)49(63)80-53)76-48-43(35(58)30(21-71-48)81-83(67,68)69)79-45-37(60)36(59)40(25(4)74-45)77-47-39(62)42(34(57)29(75-47)22-72-82(64,65)66)78-46-38(61)41(70-10)33(56)24(3)73-46;;/h13,24-26,29-48,56-62H,1,11-12,14-22H2,2-10H3,(H,64,65,66)(H,67,68,69);;/q;2*+1/p-2/t24-,25+,26+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,51+,52-,53-,54+;;/m0../s1 |
| InChIKey | PRLCHBZSCWFJHE-YTCLMEDRSA-L |
| Literature Reference Author | A.S.ANTONOV,S.A.AVILOV,A.I.KALINOVSKY,S.D.ANASTYUK,P.S.DMITR ENOK,E.V.EVTUSHENKO, |
| Literature Reference Citation | J.NAT.PROD.,71,1677(2008) |
| Literature Reference DOI | 10.1021/np800173c |
| Molecular Weight | 1273.328 g/mol |
| Sample ID | 29113 |
| Solvent | C5D5N:D2O=4:1 |