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METHYL-(22-E)-3-OXO-24-NORCHOLESTA-1,4,22-TRIEN-26-OATE
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

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