| SpectraBase Compound ID | 2iiLBgVmUvf |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-44-36(63)33(60)31(58)25(19-54)70-44)39(38(65)40(74-46)42(66)67)73-43-35(62)30(57)24(56)21-69-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23?,24-,25+,26-,27?,28?,29?,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40+,41-,43+,44-,45+,46-,50+,51?,52?,53?/m1/s1 |
| InChIKey | GTMFXAIMOULWTC-VQBCAZSFSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1M37qFsItOR |
|---|---|
| Name | 2'-O-BETA-D-GLUCOPYRANOSYLMOMORDINE_IIC |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-44-36(63)33(60)31(58)25(19-54)70-44)39(38(65)40(74-46)42(66)67)73-43-35(62)30(57)24(56)21-69-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23?,24-,25+,26-,27?,28?,29?,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40+,41-,43+,44-,45+,46-,50+,51?,52?,53?/m1/s1 |
| InChIKey | GTMFXAIMOULWTC-VQBCAZSFSA-N |
| Literature Reference Author | Y.WEN,Y.CHEN,Z.CUI,J.LI,Z.WANG |
| Literature Reference Citation | PLANTA.MED.,61,450(1995) |
| Literature Reference DOI | 10.1055/s-2006-958134 |
| Molecular Weight | 1089.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP734 |