| SpectraBase Compound ID | KEUQRmD7RCv |
|---|---|
| InChI | InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-33(59)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-34(60)31(57)35(36(67-41)38(61)62)66-39-32(58)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21?,22-,23-,24+,25?,26?,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | SQVBXHAEJALFEQ-NQPBRPFDSA-N |
| Mol Weight | 989.1 g/mol |
| Molecular Formula | C48H76O21 |
| Exact Mass | 988.487909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Zhw1JrEVGF |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O21 |
| InChI | InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-33(59)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-34(60)31(57)35(36(67-41)38(61)62)66-39-32(58)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21?,22-,23-,24+,25?,26?,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | SQVBXHAEJALFEQ-NQPBRPFDSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,H.SHIBUYA,I.KITAGAWA |
| Literature Reference Citation | PHYTOCHEM.,42,809(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00003-9 |
| Molecular Weight | 989.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3694 |