| SpectraBase Compound ID | A27O5GRbLN3 |
|---|---|
| InChI | InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-34(40-6)33(38)22-26/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | HWQOCIIUIKXFQS-GUWDTTHPSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C37H54O4 |
| Exact Mass | 562.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GNHfg8NDGYP |
|---|---|
| Name | Cholesteryl - 3-Hydroxy-4-methoxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H54O4 |
| InChI | InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-34(40-6)33(38)22-26/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | HWQOCIIUIKXFQS-GUWDTTHPSA-N |
| Molecular Weight | 562.835 g/mol |
| SMILES | Oc1cc(\C=C\C(OC2CC[C@@]3(C4CC[C@]5(C(C4CC=C3C2)CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])C)C)=O)ccc1OC |
| SPLASH | splash10-03di-0420090000-d1a2c14eb619597e7740 |
| Source of Spectrum | X2-58-283-12 |
| Wiley ID | 1605826 |