| SpectraBase Compound ID | 3iyvq6TXybW |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-20-32(45)36(52-9)33(46)37(55-20)58-35-22(3)54-31(18-27(35)51-8)57-34-21(2)53-30(17-26(34)50-7)56-25-11-12-38(5)24(16-25)10-13-41(48)28(38)19-29(44)39(6)40(47,23(4)43)14-15-42(39,41)49/h10,20-22,25-37,44-49H,11-19H2,1-9H3/t20-,21-,22+,25+,26+,27-,28?,29-,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+/m1/s1 |
| InChIKey | WJGXGSSGIYXFES-HCCCYEBKSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBai67JcxHz |
|---|---|
| Name | SINOMARINOSIDE_D;DEACALMETAPLEXIGENIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-20-32(45)36(52-9)33(46)37(55-20)58-35-22(3)54-31(18-27(35)51-8)57-34-21(2)53-30(17-26(34)50-7)56-25-11-12-38(5)24(16-25)10-13-41(48)28(38)19-29(44)39(6)40(47,23(4)43)14-15-42(39,41)49/h10,20-22,25-37,44-49H,11-19H2,1-9H3/t20-,21-,22+,25+,26+,27-,28?,29-,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+/m1/s1 |
| InChIKey | WJGXGSSGIYXFES-HCCCYEBKSA-N |
| Literature Reference Author | J.J.CHEN,Z.X.ZHANG,J.ZHOU,B.T.LI |
| Literature Reference Citation | J.NAT.PROD.,62,829(1999) |
| Literature Reference DOI | 10.1021/np9804684 |
| Molecular Weight | 828.992 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ2631 |