| SpectraBase Compound ID | 2YawbWpxvFh |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i2+1,3+1,4+1,6+1,8+1,11+1,13+1,16+1,21+1,22+1,23+1,25+1,27+1,29+1 |
| InChIKey | OSELKOCHBMDKEJ-BFTOHYAMSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C1513C14H48O |
| Exact Mass | 426.417484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PreQJDPZhl |
|---|---|
| Name | LABELED-ISOFUCOSTEROL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i2+1,3+1,4+1,6+1,8+1,11+1,13+1,16+1,21+1,22+1,23+1,25+1,27+1,29+1 |
| InChIKey | OSELKOCHBMDKEJ-BFTOHYAMSA-N |
| Literature Reference Author | D.UMLAUF,J.ZAPP,H.BECKER,K.P.ADAM |
| Literature Reference Citation | PHYTOCHEM.,65,2463(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.08.019 |
| Molecular Weight | 412.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32925 |