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VERSICOLACTONE B
SpectraBase Compound ID 2rhaeOiHN9t
InChI InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h4,8,12-14,16H,1,5-7H2,2-3H3/b10-4-/t12-,13+,14-/m1/s1
InChIKey XJUHTEFWFCFCBI-PMMOVUOPSA-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 C8Px7PPajTh
Name 4-hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7,2,1]dodeca-1(12),5-dien-11-one
Alternate Name(s) Madolin X
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/h4,8,12-14,16H,1,5-7H2,2-3H3/b10-4-/t12-,13+,14-/m1/s1
InChIKey XJUHTEFWFCFCBI-PMMOVUOPSA-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 = +32.6 (c = 0.05, CHCl3)
Reported Formula C15H20O3
SMILES O[C@]1(CCC2=C[C@]([C@](C\C=C/1C)(C(C)=C)[H])(OC2=O)[H])[H]
SPLASH splash10-015j-0930000000-9b19ef6bd1ad34745c2c
Source of Spectrum G4-64-74-5
Wiley ID 1882784