| SpectraBase Compound ID | EnfuI4j1Fo3 |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-19(20(2)38)10-13-36(31(44)46-30-28(42)27(41)26(40)23(18-37)45-30)15-14-34(6)21(16-36)8-9-25-33(5)17-22(39)29(43)32(3,4)24(33)11-12-35(25,34)7/h8-9,16,19-20,22-30,37-43H,10-15,17-18H2,1-7H3/t19?,20?,22-,23+,24+,25-,26+,27-,28+,29-,30-,33+,34-,35-,36+/m1/s1 |
| InChIKey | SIVJXPZDODNUNP-FWJZBFGQSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C36H58O10 |
| Exact Mass | 650.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vG7xliaF6a |
|---|---|
| Name | KAKISAPONIN-C;28-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-ALPHA,19-TRIHYDROXY-18,19-SECOURS-11,13(18)-DIEN-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-19(20(2)38)10-13-36(31(44)46-30-28(42)27(41)26(40)23(18-37)45-30)15-14-34(6)21(16-36)8-9-25-33(5)17-22(39)29(43)32(3,4)24(33)11-12-35(25,34)7/h8-9,16,19-20,22-30,37-43H,10-15,17-18H2,1-7H3/t19?,20?,22-,23+,24+,25-,26+,27-,28+,29-,30-,33+,34-,35-,36+/m1/s1 |
| InChIKey | SIVJXPZDODNUNP-FWJZBFGQSA-N |
| Literature Reference Author | G.CHEN,Z.Q.WANG,J.M.JIA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,532(2009) |
| Literature Reference DOI | 10.1248/cpb.57.532 |
| Molecular Weight | 650.851 g/mol |
| Sample ID | 2484 |
| Solvent | C5D5N |