| SpectraBase Compound ID | IH00WvjJlIK |
|---|---|
| InChI | InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29?,30?,31-,32?,33?,35+,36-/m1/s1 |
| InChIKey | FESYLMLHRKCTFF-SCNAGQKOSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C36H52O2 |
| Exact Mass | 516.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F2QKmwbGvXn |
|---|---|
| Name | Cholest-5-en-3-yl (2E)-3-phenyl-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O2 |
| InChI | InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29?,30?,31-,32?,33?,35+,36-/m1/s1 |
| InChIKey | FESYLMLHRKCTFF-SCNAGQKOSA-N |
| Molecular Weight | 516.810 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC(\C=C\c2ccccc2)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-00ls-3945000000-5301cb47c364a3048b59 |
| Source of Spectrum | X2-58-282-3 |
| Synonyms | (E)-3-phenyl-2-propenoic acid [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate |
| Wiley ID | 1605835 |