| SpectraBase Compound ID | F2vXIm8PZTf |
|---|---|
| InChI | InChI=1S/C56H88O28S2.2Na/c1-24(2)13-12-18-55(10)46-30(77-27(5)57)21-54(9)29-14-15-33-52(6,7)34(17-19-53(33,8)28(29)16-20-56(46,54)51(65)83-55)79-50-45(37(60)32(22-73-50)84-86(69,70)71)82-47-39(62)38(61)42(26(4)76-47)80-49-41(64)44(36(59)31(78-49)23-74-85(66,67)68)81-48-40(63)43(72-11)35(58)25(3)75-48;;/h14,25-26,28,30-50,58-64H,1,12-13,15-23H2,2-11H3,(H,66,67,68)(H,69,70,71);;/q;2*+1/p-2/t25-,26+,28+,30-,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48+,49+,50-,53+,54-,55-,56+;;/m0../s1 |
| InChIKey | AYIHLNOPCNMLBE-IIVQOLPOSA-L |
| Mol Weight | 1317.37553856 g/mol |
| Molecular Formula | C56H86Na2O28S2 |
| Exact Mass | 1316.454243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Zkohl26uwh |
|---|---|
| Name | LIVOUVILLOSIDE_A_3;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 | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H86Na2O28S2 |
| InChI | InChI=1S/C56H88O28S2.2Na/c1-24(2)13-12-18-55(10)46-30(77-27(5)57)21-54(9)29-14-15-33-52(6,7)34(17-19-53(33,8)28(29)16-20-56(46,54)51(65)83-55)79-50-45(37(60)32(22-73-50)84-86(69,70)71)82-47-39(62)38(61)42(26(4)76-47)80-49-41(64)44(36(59)31(78-49)23-74-85(66,67)68)81-48-40(63)43(72-11)35(58)25(3)75-48;;/h14,25-26,28,30-50,58-64H,1,12-13,15-23H2,2-11H3,(H,66,67,68)(H,69,70,71);;/q;2*+1/p-2/t25-,26+,28+,30-,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46+,47-,48+,49+,50-,53+,54-,55-,56+;;/m0../s1 |
| InChIKey | AYIHLNOPCNMLBE-IIVQOLPOSA-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 | 1317.382 g/mol |
| Sample ID | 29116 |
| Solvent | C5D5N:D2O=4:1 |