| SpectraBase Compound ID | 1ennAdmgDX4 |
|---|---|
| InChI | InChI=1S/C56H88O32S3.3Na/c1-24(2)12-11-17-55(9)46-29(80-26(4)57)20-54(8)28-13-14-33-52(5,6)34(16-18-53(33,7)27(28)15-19-56(46,54)51(65)87-55)83-50-45(37(60)32(21-76-50)88-91(72,73)74)86-47-39(62)38(61)42(25(3)79-47)84-49-41(64)44(36(59)31(82-49)23-78-90(69,70)71)85-48-40(63)43(75-10)35(58)30(81-48)22-77-89(66,67)68;;;/h13,25,27,29-50,58-64H,1,11-12,14-23H2,2-10H3,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3/t25-,27-,29+,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-;;;/m1.../s1 |
| InChIKey | QUQQBCNPUMXXMM-UVWLGKIHSA-K |
| Mol Weight | 1435.41330785 g/mol |
| Molecular Formula | C56H85Na3O32S3 |
| Exact Mass | 1434.387917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1riGvNeKyJT |
|---|---|
| Name | LIVOUVILLOSIDE_B_2;3-BETA-O-[3-O-METHYL-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-QUIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H85Na3O32S3 |
| InChI | InChI=1S/C56H88O32S3.3Na/c1-24(2)12-11-17-55(9)46-29(80-26(4)57)20-54(8)28-13-14-33-52(5,6)34(16-18-53(33,7)27(28)15-19-56(46,54)51(65)87-55)83-50-45(37(60)32(21-76-50)88-91(72,73)74)86-47-39(62)38(61)42(25(3)79-47)84-49-41(64)44(36(59)31(82-49)23-78-90(69,70)71)85-48-40(63)43(75-10)35(58)30(81-48)22-77-89(66,67)68;;;/h13,25,27,29-50,58-64H,1,11-12,14-23H2,2-10H3,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3/t25-,27-,29+,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-;;;/m1.../s1 |
| InChIKey | QUQQBCNPUMXXMM-UVWLGKIHSA-K |
| 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 | 1435.421 g/mol |
| Sample ID | 29117 |
| Solvent | C5D5N:D2O=4:1 |