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(22E,24Z)-5-ALPHA-STIGMASTA-7,22,24(24(1))-TRIEN-3-BETA-YL-ACETATE
SpectraBase Compound ID LDQ8coREePb
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8-10,12,20-21,24-25,27-29H,11,13-19H2,1-7H3/b10-9+,23-8+/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey CSMKMAITTHWFDI-FPGKZLMTSA-N
Mol Weight 452.7 g/mol
Molecular Formula C31H48O2
Exact Mass 452.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vGNW1gRJci
Name (22E,24Z)-5-ALPHA-STIGMASTA-7,22,24(24(1))-TRIEN-3-BETA-YL-ACETATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O2
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8-10,12,20-21,24-25,27-29H,11,13-19H2,1-7H3/b10-9+,23-8+/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey CSMKMAITTHWFDI-FPGKZLMTSA-N
Literature Reference Author T.AKIHISA,Y.KIMURA,W.C.M.C.KOKKE,T.ITOH,T.TAMURA
Literature Reference Citation CHEM.PHARM.BULL.,44,1202(1996)
Literature Reference DOI 10.1248/cpb.44.1202
Molecular Weight 452.721 g/mol
Solvent CDCl3
Source File Reference UWLU31309