![#2;3-O-[[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-21-O-[3-TIGLOYLOXYNILIC-ACID)-4-TIGLOYLOXY-ALPHA-L-ARABINO](/api/spectrum/sCESepniRs/structure.png?h=300&w=458 "#2;3-O-[[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-21-O-[3-TIGLOYLOXYNILIC-ACID)-4-TIGLOYLOXY-ALPHA-L-ARABINO")
| SpectraBase Compound ID | HZobxLmqoaC |
|---|---|
| InChI | InChI=1S/C50H78O13/c1-14-26(3)41(56)60-29(6)28(5)43(58)62-38-32(61-42(57)27(4)15-2)24-59-44(37(38)54)63-40-39(55)50(25-51)31(22-45(40,7)8)30-16-17-34-47(11)20-19-35(52)46(9,10)33(47)18-21-48(34,12)49(30,13)23-36(50)53/h14-16,28-29,31-40,44,51-55H,17-25H2,1-13H3/b26-14+,27-15+/t28?,29?,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,44+,47-,48+,49+,50-/m0/s1 |
| InChIKey | LUQLNWWZYQSIPF-WFLJFHDWSA-N |
| Mol Weight | 887.2 g/mol |
| Molecular Formula | C50H78O13 |
| Exact Mass | 886.544243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sCESepniRs |
|---|---|
| Name | #2;3-O-[[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-21-O-[3-TIGLOYLOXYNILIC-ACID)-4-TIGLOYLOXY-ALPHA-L-ARABINO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78O13 |
| InChI | InChI=1S/C50H78O13/c1-14-26(3)41(56)60-29(6)28(5)43(58)62-38-32(61-42(57)27(4)15-2)24-59-44(37(38)54)63-40-39(55)50(25-51)31(22-45(40,7)8)30-16-17-34-47(11)20-19-35(52)46(9,10)33(47)18-21-48(34,12)49(30,13)23-36(50)53/h14-16,28-29,31-40,44,51-55H,17-25H2,1-13H3/b26-14+,27-15+/t28?,29?,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,44+,47-,48+,49+,50-/m0/s1 |
| InChIKey | LUQLNWWZYQSIPF-WFLJFHDWSA-N |
| Literature Reference Author | G.MASSIOT,X.F.CHEN,C.LAVAUD,L.L.MEN-OLIVIER,C.DELAUDE,A.VIAR I,P.VIGNY,J.DUVAL |
| Literature Reference Citation | PHYTOCHEM.,31,3571(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83729-I |
| Molecular Weight | 887.162 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27187 |