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Madolin U
SpectraBase Compound ID Dvy0SaIAMJU
InChI InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1
InChIKey AHRAJHROHXBDAF-WYAMFQBQSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BzZcrJUDg
Name 4-hydroxy-8-isopropenyl-5-methylene-10-oxabicyclo[7,2,1]dodec-1(12)-en-11-one
Alternate Name(s) Madolin U
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1
InChIKey AHRAJHROHXBDAF-WYAMFQBQSA-N
Instrument Name VG-70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np0002886
Molecular Weight 248.322 g/mol
Optical Rotation [a]D = +84.9 (c = 0.08, CHCl3)
Reported Formula C15H20O3
SMILES OC1CCC2=C[C@]([C@](CCC1=C)(C(C)=C)[H])(OC2=O)[H]
SPLASH splash10-00m1-0960000000-e206014f9cada6e41864
Source of Spectrum G4-64-74-3
Wiley ID 1882782