![#2;QM-7;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN](/api/spectrum/JeHvk0FX8Gm/structure.png?h=300&w=458 "#2;QM-7;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN")
| SpectraBase Compound ID | 3lEbee7c1KQ |
|---|---|
| InChI | InChI=1S/C53H88O34/c1-11-14(2)45(70)81-38-20(8)76-49(35(68)40(38)83-47-33(66)28(61)24(57)17(5)73-47)85-43-30(63)26(59)22(12-54)78-52(43)84-41-36(69)50(77-21(9)39(41)82-48-34(67)32(65)37(19(7)75-48)80-46(71)15(3)16(4)56)86-44-31(64)27(60)23(13-55)79-53(44)87-42-29(62)25(58)18(6)74-51(42)72-10/h11,15-44,47-69H,12-13H2,1-10H3/b14-11+/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25+,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42-,43-,44+,47-,48-,49+,50-,51+,52+,53-/m1/s1 |
| InChIKey | VVMWLCCEQPZTOL-FLHYPPJQSA-N |
| Mol Weight | 1269.3 g/mol |
| Molecular Formula | C53H88O34 |
| Exact Mass | 1268.5157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeHvk0FX8Gm |
|---|---|
| Name | #2;QM-7;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H88O34 |
| InChI | InChI=1S/C53H88O34/c1-11-14(2)45(70)81-38-20(8)76-49(35(68)40(38)83-47-33(66)28(61)24(57)17(5)73-47)85-43-30(63)26(59)22(12-54)78-52(43)84-41-36(69)50(77-21(9)39(41)82-48-34(67)32(65)37(19(7)75-48)80-46(71)15(3)16(4)56)86-44-31(64)27(60)23(13-55)79-53(44)87-42-29(62)25(58)18(6)74-51(42)72-10/h11,15-44,47-69H,12-13H2,1-10H3/b14-11+/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25+,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42-,43-,44+,47-,48-,49+,50-,51+,52+,53-/m1/s1 |
| InChIKey | VVMWLCCEQPZTOL-FLHYPPJQSA-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 | 1269.261 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14014 |