| SpectraBase Compound ID | 5yAwByUowLn |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3/t18-,20-,21-,22?,23?,24-,25+,26-,27?,28-,29+,31+,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | YZANFWDKMDESHV-CGKOKFMESA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kz826f3CpaW |
|---|---|
| Name | 2-ALPHA,3-ALPHA,19-ALPHA-TRIHYDROXY-URS-12-EN-24-FORMYL-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3/t18-,20-,21-,22?,23?,24-,25+,26-,27?,28-,29+,31+,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | YZANFWDKMDESHV-CGKOKFMESA-N |
| Literature Reference Author | B.Z.LI,B.G.WANG,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,49,2477(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00161-7 |
| Molecular Weight | 664.834 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU1092 |