| SpectraBase Compound ID | JR8HiYipLNJ |
|---|---|
| InChI | InChI=1S/C55H86O28S2.2Na/c1-24(2)12-11-17-54(9)45-30(76-26(4)56)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(64)82-54)78-49-44(36(59)32(22-73-49)83-85(68,69)70)81-47-38(61)37(60)41(25(3)75-47)79-46-39(62)42(29(57)21-72-46)80-48-40(63)43(71-10)35(58)31(77-48)23-74-84(65,66)67;;/h12-13,25,27,29-49,57-63H,11,14-23H2,1-10H3,(H,65,66,67)(H,68,69,70);;/q;2*+1/p-2/t25-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,52-,53+,54+,55-;;/m1../s1 |
| InChIKey | CLBCDGOZQJVQRM-PCNSMFTOSA-L |
| Mol Weight | 1303.34853856 g/mol |
| Molecular Formula | C55H84Na2O28S2 |
| Exact Mass | 1302.438593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFZ5jefHQwH |
|---|---|
| Name | INTERCEDENSIDE-B;16-BETA-ACETOXY-3-O-[6''''-O-SULFATE-3''''-O-METHYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-QUINOVOPYRANOSYL-( |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H84Na2O28S2 |
| InChI | InChI=1S/C55H86O28S2.2Na/c1-24(2)12-11-17-54(9)45-30(76-26(4)56)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(64)82-54)78-49-44(36(59)32(22-73-49)83-85(68,69)70)81-47-38(61)37(60)41(25(3)75-47)79-46-39(62)42(29(57)21-72-46)80-48-40(63)43(71-10)35(58)31(77-48)23-74-84(65,66)67;;/h12-13,25,27,29-49,57-63H,11,14-23H2,1-10H3,(H,65,66,67)(H,68,69,70);;/q;2*+1/p-2/t25-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,52-,53+,54+,55-;;/m1../s1 |
| InChIKey | CLBCDGOZQJVQRM-PCNSMFTOSA-L |
| Literature Reference Author | Z.R.ZOU,Y.H.YI,H.M.WU,J.H.WU,C.C.LIAW,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,66,1055(2003) |
| Literature Reference DOI | 10.1021/np030064y |
| Molecular Weight | 1303.355 g/mol |
| Solvent | C5D5N:D2O=4:1 |
| Source File Reference | UWSP143 |