| SpectraBase Compound ID | JnzCSe91rmp |
|---|---|
| InChI | InChI=1S/C42H68O15.K/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)55-36-31(51)32(30(50)33(57-36)34(52)53)56-35-29(49)28(48)27(47)22(17-43)54-35;/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53);/q;+1/p-1/t21?,22-,23?,24?,25+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,38-,39+,40-,41-,42-;/m1./s1 |
| InChIKey | CKCMLRPLKVJETI-SXJABWTISA-M |
| Mol Weight | 851.1 g/mol |
| Molecular Formula | C42H67KO15 |
| Exact Mass | 850.411703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CJ5KyYOVXD |
|---|---|
| Name | POTASSIUM-SALT-OF-29-HYDROXYLONGISPINOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCORONOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67KO15 |
| InChI | InChI=1S/C42H68O15.K/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)55-36-31(51)32(30(50)33(57-36)34(52)53)56-35-29(49)28(48)27(47)22(17-43)54-35;/h7,21-33,35-36,43-51H,8-19H2,1-6H3,(H,52,53);/q;+1/p-1/t21?,22-,23?,24?,25+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,38-,39+,40-,41-,42-;/m1./s1 |
| InChIKey | CKCMLRPLKVJETI-SXJABWTISA-M |
| Literature Reference Author | W.YE,X.LIN,Q.ZHANG,C.T.CHE,S.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,64,232(2001) |
| Literature Reference DOI | 10.1021/np0004451 |
| Molecular Weight | 851.083 g/mol |
| Solvent | PYRIDINE-D5 |