| SpectraBase Compound ID | 2aB8u415pJb |
|---|---|
| InChI | InChI=1S/C57H94O29S.Na/c1-21(2)16-26(59)19-56(9,70)34-11-10-29-28-18-32(31-17-27(86-87(73,74)75)12-14-54(31,7)30(28)13-15-55(29,34)8)80-51-44(69)48(57(71,72)25(6)79-51)85-52-47(84-50-42(67)39(64)36(61)23(4)77-50)43(68)45(24(5)78-52)82-53-46(40(65)37(62)33(20-58)81-53)83-49-41(66)38(63)35(60)22(3)76-49;/h13,21-25,27-29,31-53,58,60-72H,10-12,14-20H2,1-9H3,(H,73,74,75);/q;+1/p-1/t22-,23-,24+,25-,27+,28?,29?,31?,32+,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,52-,53+,54-,55+,56?;/m1./s1 |
| InChIKey | PJURCZGYWCGLJD-QMJDLRPMSA-M |
| Mol Weight | 1297.4 g/mol |
| Molecular Formula | C57H93NaO29S |
| Exact Mass | 1296.542092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8saUDydami6 |
|---|---|
| Name | BRASILIENSOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H93NaO29S |
| InChI | InChI=1S/C57H94O29S.Na/c1-21(2)16-26(59)19-56(9,70)34-11-10-29-28-18-32(31-17-27(86-87(73,74)75)12-14-54(31,7)30(28)13-15-55(29,34)8)80-51-44(69)48(57(71,72)25(6)79-51)85-52-47(84-50-42(67)39(64)36(61)23(4)77-50)43(68)45(24(5)78-52)82-53-46(40(65)37(62)33(20-58)81-53)83-49-41(66)38(63)35(60)22(3)76-49;/h13,21-25,27-29,31-53,58,60-72H,10-12,14-20H2,1-9H3,(H,73,74,75);/q;+1/p-1/t22-,23-,24+,25-,27+,28?,29?,31?,32+,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,52-,53+,54-,55+,56?;/m1./s1 |
| InChIKey | PJURCZGYWCGLJD-QMJDLRPMSA-M |
| Literature Reference Author | M.IORIZZI,F.DERICCARDIS,L.MINALE,R.RICCIO |
| Literature Reference Citation | J.NAT.PROD.,56,2149(1993) |
| Literature Reference DOI | 10.1021/np50102a018 |
| Molecular Weight | 1297.398 g/mol |
| Solvent | C5D5N;1-DROP-H2O |
| Source File Reference | UWCS18510 |