| SpectraBase Compound ID | K1inp55hj8I |
|---|---|
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)27(44)30(31(54-34)32(47)48)53-33-28(45)26(43)22(19-42)51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21?,22-,23?,24?,25+,26-,27-,28+,29-,30+,31+,33-,34-,38+,39-,40-,41+/m1/s1 |
| InChIKey | DDHCJXBGKMDIFP-ZGJBFWSOSA-N |
| Mol Weight | 764.9 g/mol |
| Molecular Formula | C41H64O13 |
| Exact Mass | 764.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDVLocGYdcO |
|---|---|
| Name | CHIKUSETUSAPONIN-IB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O13 |
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)27(44)30(31(54-34)32(47)48)53-33-28(45)26(43)22(19-42)51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21?,22-,23?,24?,25+,26-,27-,28+,29-,30+,31+,33-,34-,38+,39-,40-,41+/m1/s1 |
| InChIKey | DDHCJXBGKMDIFP-ZGJBFWSOSA-N |
| Literature Reference Author | S.S.YU,D.Q.YU,X.T.LIANG |
| Literature Reference Citation | J.NAT.PROD.,57,978(1994) |
| Literature Reference DOI | 10.1021/np50109a016 |
| Molecular Weight | 764.951 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS1464 |