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Madolin-I
SpectraBase Compound ID DRcRN0ZV1T3
InChI InChI=1S/C15H18O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12,14H,1,3-7H2,2H3/t12-,14-/m1/s1
InChIKey XUDVAHPYULHLEB-TZMCWYRMSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MME3J7lM4H
Name Madolin-I
Alternate Name(s) (8R,9R)-8-isopropenyl-5-methylene-10-oxabicyclo[7.2.1]dodec-1(12)-ene-4,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12,14H,1,3-7H2,2H3/t12-,14-/m1/s1
InChIKey XUDVAHPYULHLEB-TZMCWYRMSA-N
Molecular Weight 246.306 g/mol
SMILES C1(O[C@]2([C@@](C(=C)C)(CCC(C(CCC1=C2)=O)=C)[H])[H])=O
SPLASH splash10-0zi3-9600000000-214a4606495c848c8740
Source of Spectrum E2-48-360-3
Wiley ID 1555102