| SpectraBase Compound ID | JHrzW3Q8gZm |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-35(59)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)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)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 | KVCOJLFXXKAKKU-JNTYJDBASA-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 | 9e4Ml1ASOq |
|---|---|
| Name | PALUSTROSIDE-III;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-BREDEMOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 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)68-40-35(59)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)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)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 | KVCOJLFXXKAKKU-JNTYJDBASA-N |
| Literature Reference Author | M.UDAYAMA,M.OHKAWA,N.YOSHIDA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1412(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1412 |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20566 |