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(3aS,5aR,10bS)-3a,10b-Dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxa-acephenanthrylene-4,9-dione
SpectraBase Compound ID 9JiAnA6iTfR
InChI InChI=1S/C16H18O4/c1-15-4-3-5-16(2)13(15)11(20-14(16)18)6-9-8-19-12(17)7-10(9)15/h6-7,11,13H,3-5,8H2,1-2H3/t11-,13?,15-,16+/m1/s1
InChIKey CADKOFRWMORBOD-BPZRQAJTSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xBA6Qk9mA
Name (3aS,5aR,10bS)-3a,10b-Dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxa-acephenanthrylene-4,9-dione
Alternate Name(s) (3aS,5aR,10bS)-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione Deisopropylnagilactone F (1,4a-dimethyl-octahydro-7-oxa-6-oxophenanthrene-1,10-lactone)
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-15-4-3-5-16(2)13(15)11(20-14(16)18)6-9-8-19-12(17)7-10(9)15/h6-7,11,13H,3-5,8H2,1-2H3/t11-,13?,15-,16+/m1/s1
InChIKey CADKOFRWMORBOD-BPZRQAJTSA-N
Molecular Weight 274.316 g/mol
SMILES [C@]12(C=3C(COC(C3)=O)=C[C@@]3(C1[C@](C(=O)O3)(C)CCC2)[H])C
SPLASH splash10-0002-1790000000-265e6bf99fa2b53a6f5f
Source of Spectrum F-55-7301-18
Wiley ID 838286