| SpectraBase Compound ID | 59semoiiehC |
|---|---|
| InChI | InChI=1S/C54H84O31S3.3Na/c1-23(2)11-10-16-53(8)44-27(55)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(63)84-53)80-48-43(35(58)30(20-74-48)85-88(70,71)72)83-45-37(60)36(59)40(24(3)77-45)81-47-39(62)42(34(57)29(79-47)22-76-87(67,68)69)82-46-38(61)41(73-9)33(56)28(78-46)21-75-86(64,65)66;;;/h12,24-25,28-48,56-62H,1,10-11,13-22H2,2-9H3,(H,64,65,66)(H,67,68,69)(H,70,71,72);;;/q;3*+1/p-3/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 | FUBKGCMAKANBII-FDPGMQIBSA-K |
| Mol Weight | 1391.36030785 g/mol |
| Molecular Formula | C54H81Na3O31S3 |
| Exact Mass | 1390.361702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Boen0ruL378 |
|---|---|
| Name | LIVOUVILLOSIDE_B_1;3-BETA-O-[3-O-METHYL-6-O-SODIUM_SULFATE-BETA-GLUCOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYLL-(1->4)-BETA-D-QUINO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H81Na3O31S3 |
| InChI | InChI=1S/C54H84O31S3.3Na/c1-23(2)11-10-16-53(8)44-27(55)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(63)84-53)80-48-43(35(58)30(20-74-48)85-88(70,71)72)83-45-37(60)36(59)40(24(3)77-45)81-47-39(62)42(34(57)29(79-47)22-76-87(67,68)69)82-46-38(61)41(73-9)33(56)28(78-46)21-75-86(64,65)66;;;/h12,24-25,28-48,56-62H,1,10-11,13-22H2,2-9H3,(H,64,65,66)(H,67,68,69)(H,70,71,72);;;/q;3*+1/p-3/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 | FUBKGCMAKANBII-FDPGMQIBSA-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 | 1391.368 g/mol |
| Sample ID | 29114 |
| Solvent | C5D5N:D2O=4:1 |