![Cholesteryl-3-[3,4-(Methylenedioxy)-cinnamate]](/api/spectrum/DAkEXKvkj9Q/structure.png?h=300&w=458 "Cholesteryl-3-[3,4-(Methylenedioxy)-cinnamate]")
| SpectraBase Compound ID | 3A3WynDRmMJ |
|---|---|
| InChI | InChI=1S/C37H52O4/c1-24(2)7-6-8-25(3)30-13-14-31-29-12-11-27-22-28(17-19-36(27,4)32(29)18-20-37(30,31)5)41-35(38)16-10-26-9-15-33-34(21-26)40-23-39-33/h9-11,15-16,21,24-25,28-32H,6-8,12-14,17-20,22-23H2,1-5H3/b16-10+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | IGPMNFLVGRQHEN-UDWLNHLUSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C37H52O4 |
| Exact Mass | 560.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DAkEXKvkj9Q |
|---|---|
| Name | Cholesteryl-3-[3,4-(Methylenedioxy)-cinnamate] |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(1,3-benzodioxol-5-yl)-2-propenoate Cholesteryl-3,4-(Methylenedioxy)-cinnamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O4 |
| InChI | InChI=1S/C37H52O4/c1-24(2)7-6-8-25(3)30-13-14-31-29-12-11-27-22-28(17-19-36(27,4)32(29)18-20-37(30,31)5)41-35(38)16-10-26-9-15-33-34(21-26)40-23-39-33/h9-11,15-16,21,24-25,28-32H,6-8,12-14,17-20,22-23H2,1-5H3/b16-10+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | IGPMNFLVGRQHEN-UDWLNHLUSA-N |
| Molecular Weight | 560.819 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC(\C=C\c2cc3OCOc3cc2)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-014i-1529000000-cdf82df0a397f03fe860 |
| Source of Spectrum | X2-58-283-15 |
| Wiley ID | 1605823 |