| SpectraBase Compound ID | 3Y68w1Il4W9 |
|---|---|
| InChI | InChI=1S/C64H102O30/c1-24-11-16-64(59(82)94-56-48(80)43(75)40(72)32(89-56)23-84-53-49(81)45(77)50(31(21-66)88-53)91-54-46(78)41(73)36(68)25(2)85-54)18-17-62(7)27(28(64)19-24)9-10-34-61(6)14-13-35(60(4,5)33(61)12-15-63(34,62)8)90-57-51(38(70)29(67)22-83-57)93-58-52(44(76)37(69)26(3)86-58)92-55-47(79)42(74)39(71)30(20-65)87-55/h9,25-26,28-58,65-81H,1,10-23H2,2-8H3/t25-,26+,28+,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39+,40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,61+,62-,63-,64+/m1/s1 |
| InChIKey | MCGQLCBHNMQSOZ-BVUMRREBSA-N |
| Mol Weight | 1351.5 g/mol |
| Molecular Formula | C64H102O30 |
| Exact Mass | 1350.645592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhFszsuDReW |
|---|---|
| Name | #2;YEMUOSIDE-YM(27);3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-AKEBONIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102O30 |
| InChI | InChI=1S/C64H102O30/c1-24-11-16-64(59(82)94-56-48(80)43(75)40(72)32(89-56)23-84-53-49(81)45(77)50(31(21-66)88-53)91-54-46(78)41(73)36(68)25(2)85-54)18-17-62(7)27(28(64)19-24)9-10-34-61(6)14-13-35(60(4,5)33(61)12-15-63(34,62)8)90-57-51(38(70)29(67)22-83-57)93-58-52(44(76)37(69)26(3)86-58)92-55-47(79)42(74)39(71)30(20-65)87-55/h9,25-26,28-58,65-81H,1,10-23H2,2-8H3/t25-,26+,28+,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39+,40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,61+,62-,63-,64+/m1/s1 |
| InChIKey | MCGQLCBHNMQSOZ-BVUMRREBSA-N |
| Literature Reference Author | H.GAO,F.ZHAO,G.D.CHEN,S.D.CHEN,Y.YU,Z.H.YAO,B.W.C.LAU,Z.WANG ,J.LI,X.S.YAO |
| Literature Reference Citation | PHYTOCHEM.,70,795(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.04.005 |
| Molecular Weight | 1351.496 g/mol |
| Sample ID | 64686 |
| Solvent | C5D5N |