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Callitrisin
SpectraBase Compound ID 9EKUpz3Buhd
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-,13-,15+/m1/s1
InChIKey VHANAQXZAJSCOS-HVNMYJMUSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iujvT0W1Jl
Name Naphtho[2,3-b]furan-2(3H)-one, 3a,4,4a,5,6,8a,9,9a-octahydro-3,8a-dimethyl-5-methylene-, [3R-(3.alpha.,3a.alpha.,4a.beta.,8a.alpha.,9a.alpha.)]-
Alternate Name(s) Callitrisin (3R,3aR,4aR,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,9,9a-hexahydro-3H-benzo[f][1]benzofuran-2-one
CAS Registry Number 66964-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-,13-,15+/m1/s1
InChIKey VHANAQXZAJSCOS-HVNMYJMUSA-N
Molecular Weight 232.323 g/mol
SMILES C1(O[C@@]2(C[C@@]3(C=CCC([C@]3(C[C@@]2([C@]1(C)[H])[H])[H])=C)C)[H])=O
SPLASH splash10-0a4l-5900000000-03a6079ab3f0f5ec9397
Source of Spectrum B-32-2466-0
Wiley ID 1234163