| SpectraBase Compound ID | 3ZmJTAZlZeL |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-34(58)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-35(59)32(56)36(37(67-41)38(60)61)66-39-33(57)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)/t22?,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 | GXDCCDSPIFRAIE-CALUIAOWSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7l9O1yQ4MiD |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-34(58)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-35(59)32(56)36(37(67-41)38(60)61)66-39-33(57)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)/t22?,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 | GXDCCDSPIFRAIE-CALUIAOWSA-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 | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3698 |