![#5;QM-5;METHYL-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2-](/api/spectrum/tJZ1qyjLI5/structure.png?h=300&w=458 "#5;QM-5;METHYL-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2-")
| SpectraBase Compound ID | E82kF54LbHK |
|---|---|
| InChI | InChI=1S/C63H108O37/c1-12-16-30(90-57-44(79)38(73)34(69)25(6)85-57)17-14-13-15-18-33(68)93-54-53(100-62-51(40(75)36(71)32(20-65)92-62)97-59-46(81)43(78)48(28(9)88-59)95-56(83)22(3)24(5)67)49(96-58-45(80)42(77)47(27(8)87-58)94-55(82)21(2)23(4)66)29(10)89-63(54)99-52-41(76)37(72)31(19-64)91-61(52)98-50-39(74)35(70)26(7)86-60(50)84-11/h21-32,34-54,57-67,69-81H,12-20H2,1-11H3/t21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,34-,35+,36-,37+,38+,39+,40+,41-,42+,43-,44-,45+,46-,47+,48-,49-,50-,51-,52+,53+,54+,57+,58-,59+,60+,61-,62+,63-/m1/s1 |
| InChIKey | YLRUJZZHVQBERE-FYDXUHGZSA-N |
| Mol Weight | 1457.5 g/mol |
| Molecular Formula | C63H108O37 |
| Exact Mass | 1456.656944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tJZ1qyjLI5 |
|---|---|
| Name | #5;QM-5;METHYL-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H108O37 |
| InChI | InChI=1S/C63H108O37/c1-12-16-30(90-57-44(79)38(73)34(69)25(6)85-57)17-14-13-15-18-33(68)93-54-53(100-62-51(40(75)36(71)32(20-65)92-62)97-59-46(81)43(78)48(28(9)88-59)95-56(83)22(3)24(5)67)49(96-58-45(80)42(77)47(27(8)87-58)94-55(82)21(2)23(4)66)29(10)89-63(54)99-52-41(76)37(72)31(19-64)91-61(52)98-50-39(74)35(70)26(7)86-60(50)84-11/h21-32,34-54,57-67,69-81H,12-20H2,1-11H3/t21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,34-,35+,36-,37+,38+,39+,40+,41-,42+,43-,44-,45+,46-,47+,48-,49-,50-,51-,52+,53+,54+,57+,58-,59+,60+,61-,62+,63-/m1/s1 |
| InChIKey | YLRUJZZHVQBERE-FYDXUHGZSA-N |
| Literature Reference Author | K.AKIYAMA,T.MINENO,M.OKAWA,J.KINJO,H.MIYASHITA,H.YOSHIMITSU, T.NOHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,952(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00355 |
| Molecular Weight | 1457.528 g/mol |
| Source File Reference | UWIR4135 |