| SpectraBase Compound ID | 4hk9jmEymK1 |
|---|---|
| InChI | InChI=1S/C58H94O28/c1-22-32(66)35(69)38(72)48(79-22)83-43-29(65)19-77-47(41(43)75)82-42-23(2)80-49(40(74)37(42)71)84-44-33(67)28(64)18-78-51(44)86-52(76)57-12-10-53(3,4)14-25(57)24-8-9-31-54(5)15-27(63)46(85-50-39(73)36(70)34(68)30(17-59)81-50)58(20-60,21-61)45(54)26(62)16-56(31,7)55(24,6)11-13-57/h8,22-23,25-51,59-75H,9-21H2,1-7H3/t22-,23+,25?,26-,27-,28+,29+,30-,31?,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43-,44-,45?,46+,47-,48-,49+,50+,51+,54-,55-,56-,57+/m1/s1 |
| InChIKey | CKVFGINJVRRIIH-JPFWWWDASA-N |
| Mol Weight | 1239.4 g/mol |
| Molecular Formula | C58H94O28 |
| Exact Mass | 1238.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEXLwJvChzB |
|---|---|
| Name | 3-O-(BETA-D-GLUCOPYRANOSYL)-24-HYDROXYTERMINOLIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSY |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O28 |
| InChI | InChI=1S/C58H94O28/c1-22-32(66)35(69)38(72)48(79-22)83-43-29(65)19-77-47(41(43)75)82-42-23(2)80-49(40(74)37(42)71)84-44-33(67)28(64)18-78-51(44)86-52(76)57-12-10-53(3,4)14-25(57)24-8-9-31-54(5)15-27(63)46(85-50-39(73)36(70)34(68)30(17-59)81-50)58(20-60,21-61)45(54)26(62)16-56(31,7)55(24,6)11-13-57/h8,22-23,25-51,59-75H,9-21H2,1-7H3/t22-,23+,25?,26-,27-,28+,29+,30-,31?,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43-,44-,45?,46+,47-,48-,49+,50+,51+,54-,55-,56-,57+/m1/s1 |
| InChIKey | CKVFGINJVRRIIH-JPFWWWDASA-N |
| Literature Reference Author | I.BURGER,B.V.BURGER,C.F.ALBRECHT,H.S.C.SPIES,P.SANDOR |
| Literature Reference Citation | PHYTOCHEM.,49,2087(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00413-0 |
| Molecular Weight | 1239.368 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU896 |