| SpectraBase Compound ID | Jc4IHdzxz1L |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-26,28-30,32,37-41H,8,10-18H2,1-7H3,(H,42,43)/t20?,21-,23-,24-,25+,26+,28-,29+,30-,32-,34-,35-,36+/m1/s1 |
| InChIKey | CDBVMUNFRJLBSP-RVQKATBASA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hwJ3C1xy9L |
|---|---|
| Name | LAETIPOSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-26,28-30,32,37-41H,8,10-18H2,1-7H3,(H,42,43)/t20?,21-,23-,24-,25+,26+,28-,29+,30-,32-,34-,35-,36+/m1/s1 |
| InChIKey | CDBVMUNFRJLBSP-RVQKATBASA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUMOTO,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,62,543(1999) |
| Literature Reference DOI | 10.1021/np980456i |
| Molecular Weight | 634.851 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UWGE1222 |