![3-O-BETA-D-[GLUCOPYRANOSIDURONIC-ACID-(1->2)-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE-PERACETYLATED](/api/spectrum/15bUrwd7SXC/structure.png?h=300&w=458 "3-O-BETA-D-[GLUCOPYRANOSIDURONIC-ACID-(1->2)-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE-PERACETYLATED")
| SpectraBase Compound ID | 2p5IrDy1V3 |
|---|---|
| InChI | InChI=1S/C56H78O21/c1-26(57)66-25-35-40(67-27(2)58)41(68-28(3)59)46(77-49-45(71-31(6)62)43(70-30(5)61)42(69-29(4)60)44(76-49)47(64)72-32(7)63)48(73-35)74-38-18-19-53(12)36(52(38,10)11)17-20-55(14)37(53)16-15-33-34-23-51(8,9)39-24-56(34,50(65)75-39)22-21-54(33,55)13/h15,34-46,48-49H,16-25H2,1-14H3/t34-,35+,36-,37+,38-,39-,40+,41-,42-,43-,44-,45+,46+,48-,49-,53-,54+,55+,56+/m0/s1 |
| InChIKey | QZVWXUNIDLLBBQ-PGOIZJHFSA-N |
| Mol Weight | 1087.2 g/mol |
| Molecular Formula | C56H78O21 |
| Exact Mass | 1086.50356 g/mol |
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| SpectraBase Spectrum ID | 15bUrwd7SXC |
|---|---|
| Name | 3-O-BETA-D-[GLUCOPYRANOSIDURONIC-ACID-(1->2)-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE-PERACETYLATED |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H78O21 |
| InChI | InChI=1S/C56H78O21/c1-26(57)66-25-35-40(67-27(2)58)41(68-28(3)59)46(77-49-45(71-31(6)62)43(70-30(5)61)42(69-29(4)60)44(76-49)47(64)72-32(7)63)48(73-35)74-38-18-19-53(12)36(52(38,10)11)17-20-55(14)37(53)16-15-33-34-23-51(8,9)39-24-56(34,50(65)75-39)22-21-54(33,55)13/h15,34-46,48-49H,16-25H2,1-14H3/t34-,35+,36-,37+,38-,39-,40+,41-,42-,43-,44-,45+,46+,48-,49-,53-,54+,55+,56+/m0/s1 |
| InChIKey | QZVWXUNIDLLBBQ-PGOIZJHFSA-N |
| Literature Reference Author | A.DEBELLA,E.HASLINGER,M.G.SCHMID,F.BUCAR,G.MICHL,D.ABEBE,O.K UNERT |
| Literature Reference Citation | PHYTOCHEM.,53,885(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00464-1 |
| Molecular Weight | 1087.223 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU2207 |