| SpectraBase Compound ID | CmrrqNOBgL6 |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)23-9-12-40(5)24(8-7-20-21-15-38(3,18-44)13-14-42(21,19-45)25(46)16-41(20,40)6)39(23,4)11-10-26(37)55-36-33(30(50)29(49)32(56-36)34(52)53)57-35-31(51)28(48)27(47)22(17-43)54-35/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | DZQWFQJUTBWJJV-DRXJTNDPSA-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 | 1L2Q9UBem2X |
|---|---|
| Name | DAVURICOSIDE-I;3-BETA,16-ALPHA,28,29-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2)23-9-12-40(5)24(8-7-20-21-15-38(3,18-44)13-14-42(21,19-45)25(46)16-41(20,40)6)39(23,4)11-10-26(37)55-36-33(30(50)29(49)32(56-36)34(52)53)57-35-31(51)28(48)27(47)22(17-43)54-35/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | DZQWFQJUTBWJJV-DRXJTNDPSA-N |
| Literature Reference Author | J.K.TIAN,Z.M.ZOU,L.Z.XU,G.H.TU,H.W.ZHANG,S.L.YANG,D.G.AN |
| Literature Reference Citation | CHIN.CHEM.LETT.,16,212(2005) |
| Molecular Weight | 812.993 g/mol |
| Sample ID | 35735 |
| Solvent | C5D5N |