![#3;QM-8;METHYL-[3-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/BGBD3kUcBfq/structure.png?h=300&w=458 "#3;QM-8;METHYL-[3-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 | Jcprf2QBV73 |
|---|---|
| InChI | InChI=1S/C63H108O37/c1-12-16-30(90-57-44(79)39(74)34(69)25(6)85-57)17-14-13-15-18-33(68)93-54-53(100-62-51(41(76)37(72)32(20-65)92-62)97-59-46(81)49(36(71)27(8)86-59)95-56(83)22(3)24(5)67)48(96-58-45(80)43(78)47(28(9)88-58)94-55(82)21(2)23(4)66)29(10)89-63(54)99-52-42(77)38(73)31(19-64)91-61(52)98-50-40(75)35(70)26(7)87-60(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-/m0/s1 |
| InChIKey | RQZSBJBXVKRVGQ-DEAYRGGWSA-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 | BGBD3kUcBfq |
|---|---|
| Name | #3;QM-8;METHYL-[3-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)39(74)34(69)25(6)85-57)17-14-13-15-18-33(68)93-54-53(100-62-51(41(76)37(72)32(20-65)92-62)97-59-46(81)49(36(71)27(8)86-59)95-56(83)22(3)24(5)67)48(96-58-45(80)43(78)47(28(9)88-58)94-55(82)21(2)23(4)66)29(10)89-63(54)99-52-42(77)38(73)31(19-64)91-61(52)98-50-40(75)35(70)26(7)87-60(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-/m0/s1 |
| InChIKey | RQZSBJBXVKRVGQ-DEAYRGGWSA-N |
| Literature Reference Author | K.AKIYAMA,K.YAMMAMOTO,T.MINENO,M.OKAWA,J.KINJO,H.YOSHIMITSU, T.NHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,125(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00739 |
| Molecular Weight | 1457.528 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14015 |