| SpectraBase Compound ID | IJoUgmkNMPV |
|---|---|
| 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-IFVCWICUSA-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 | LxdacLI9ySE |
|---|---|
| Name | 24-EPI-PINFAENSIN;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-24-OXO-URS-12-EN-28-O-BETA-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| 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-IFVCWICUSA-N |
| Literature Reference Author | C.TERREAUX,M.P.MAILLARD,M.P.GUPTA,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,42,495(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00945-0 |
| Molecular Weight | 664.834 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3366 |