| SpectraBase Compound ID | 8tHKaF2aSRH |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-20(21(2)39)9-14-36(31(44)46-30-29(43)28(42)27(41)23(18-37)45-30)16-15-34(5)22(17-36)7-8-25-32(3)12-11-26(40)33(4,19-38)24(32)10-13-35(25,34)6/h7-8,17,20-21,23-30,37-43H,9-16,18-19H2,1-6H3/t20?,21?,23-,24+,25+,26+,27-,28+,29-,30+,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | UZTMYBNYYOCNHL-LKAFTLEGSA-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 | Ltt2xj56rTp |
|---|---|
| Name | KAKISAPONIN-B;28-O-BETA-D-GLUCOPYRANOSYL-3-ALPHA,19,24-TRIHYDROXY-18,19-SECOURS-11,13(18)-DIEN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-20(21(2)39)9-14-36(31(44)46-30-29(43)28(42)27(41)23(18-37)45-30)16-15-34(5)22(17-36)7-8-25-32(3)12-11-26(40)33(4,19-38)24(32)10-13-35(25,34)6/h7-8,17,20-21,23-30,37-43H,9-16,18-19H2,1-6H3/t20?,21?,23-,24+,25+,26+,27-,28+,29-,30+,32-,33+,34+,35+,36-/m0/s1 |
| InChIKey | UZTMYBNYYOCNHL-LKAFTLEGSA-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 | 2483 |
| Solvent | C5D5N |