| SpectraBase Compound ID | E1AxB842xFr |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-17(6-7-18(2)25(29)30-5)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SPYDBHQUKUZVQJ-MDNIRYJNSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mfk9lfBIrn |
|---|---|
| Name | METHYL-(22-E)-3-OXO-24-NORCHOLESTA-1,4,22-TRIEN-26-OATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-17(6-7-18(2)25(29)30-5)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SPYDBHQUKUZVQJ-MDNIRYJNSA-N |
| Literature Reference Author | G.G.MELLADO,E.ZUBIA,M.J.ORTEGA,P.J.LOPEZ-GONZALEZ |
| Literature Reference Citation | J.NAT.PROD.,68,1111(2005) |
| Literature Reference DOI | 10.1021/np050080q |
| Molecular Weight | 410.597 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12136 |