| SpectraBase Compound ID | FGPaNp1UrYY |
|---|---|
| InChI | InChI=1S/C54H84O28S2.2Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(64)81-53)77-48-43(35(59)30(21-72-48)82-84(68,69)70)80-45-37(61)36(60)40(24(3)74-45)78-47-39(63)42(34(58)29(76-47)22-73-83(65,66)67)79-46-38(62)41(71-9)33(57)28(20-55)75-46;;/h12,24-25,28-48,55,57-63H,1,10-11,13-22H2,2-9H3,(H,65,66,67)(H,68,69,70);;/q;2*+1/p-2/t24-,25-,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,51-,52+,53+,54-;;/m1../s1 |
| InChIKey | FQVYHDOHIAGYQF-UKTZQUJJSA-L |
| Mol Weight | 1289.32153856 g/mol |
| Molecular Formula | C54H82Na2O28S2 |
| Exact Mass | 1288.422943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VzKvQs93JM |
|---|---|
| Name | LIVOUVILLOSIDE_A_1;3-BETA-O-[3-O-METHYL-BETA-D-GLUCOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-QUINOVOPYRANOSYL-(1->2) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H82Na2O28S2 |
| InChI | InChI=1S/C54H84O28S2.2Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(64)81-53)77-48-43(35(59)30(21-72-48)82-84(68,69)70)80-45-37(61)36(60)40(24(3)74-45)78-47-39(63)42(34(58)29(76-47)22-73-83(65,66)67)79-46-38(62)41(71-9)33(57)28(20-55)75-46;;/h12,24-25,28-48,55,57-63H,1,10-11,13-22H2,2-9H3,(H,65,66,67)(H,68,69,70);;/q;2*+1/p-2/t24-,25-,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,51-,52+,53+,54-;;/m1../s1 |
| InChIKey | FQVYHDOHIAGYQF-UKTZQUJJSA-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 | 1289.328 g/mol |
| Sample ID | 29112 |
| Solvent | C5D5N:D2O=4:1 |