| SpectraBase Compound ID | 2PceLrkGEJl |
|---|---|
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | AJWONNNXQUONDT-UAJHHUEASA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C27H40O |
| Exact Mass | 380.307916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUxYeq5CqRT |
|---|---|
| Name | CHOLESTA-1,4,22-TRIEN-3-ONE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O |
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | AJWONNNXQUONDT-UAJHHUEASA-N |
| Literature Reference Author | X.H.YAN,H.L.LIU,H.HUANG,X.B.LI,Y.W.GUO |
| Literature Reference Citation | J.NAT.PROD.,74,175(2011) |
| Literature Reference DOI | 10.1021/np100562n |
| Molecular Weight | 380.614 g/mol |
| Sample ID | 37532 |
| Solvent | CDCl3 |