| SpectraBase Compound ID | 40iXlybg6lt |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,35+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | BTGWDXCTCFDPBM-QWTIDRIGSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMMt4bp1sA1 |
|---|---|
| Name | ILEXOSIDE-XXXVI;3-O-BETA-D-GLUCOPYRANOSYL-ROTUNGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,35+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | BTGWDXCTCFDPBM-QWTIDRIGSA-N |
| Literature Reference Author | K.AMIMOTO,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,33,1475(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85114-7 |
| Molecular Weight | 812.993 g/mol |
| Solvent | PYRIDINE-D5 |