| SpectraBase Compound ID | 6inFJGTXwwu |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-21(43)27-12-15-42(47)40(27,6)32(44)20-31-39(5)13-11-26(16-25(39)10-14-41(31,42)46)54-33-18-29(49-8)37(23(3)52-33)56-35-19-30(50-9)38(24(4)53-35)55-34-17-28(48-7)36(45)22(2)51-34/h10,22-24,26-38,44-47H,11-20H2,1-9H3/t22-,23-,24+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 |
| InChIKey | WDOIVRONARMPPQ-BHTCDEQOSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fxqaHtQvxv |
|---|---|
| Name | ISOLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-21(43)27-12-15-42(47)40(27,6)32(44)20-31-39(5)13-11-26(16-25(39)10-14-41(31,42)46)54-33-18-29(49-8)37(23(3)52-33)56-35-19-30(50-9)38(24(4)53-35)55-34-17-28(48-7)36(45)22(2)51-34/h10,22-24,26-38,44-47H,11-20H2,1-9H3/t22-,23-,24+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 |
| InChIKey | WDOIVRONARMPPQ-BHTCDEQOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5019 |