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(3R,4aS,4bS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,4b,5,6,12,12a-octahydro-1(2H)-chrysenone
SpectraBase Compound ID 9A06i0TONdo
InChI InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8-9,11,16,20-21H,1,5,7,10,12-13H2,2-4H3/t16-,20-,21+,23-/m1/s1
InChIKey NPDJALVODFIQEB-BMWHPICZSA-N
Mol Weight 336.48 g/mol
Molecular Formula C23H28O2
Exact Mass 336.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kYTqJrEEg
Name (3R,4aS,4bS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,4b,5,6,12,12a-octahydro-1(2H)-chrysenone
Alternate Name(s) (3R,4aS,4bS,12aR)-8-methoxy-12a-methyl-3-(1-methylethenyl)-2,3,4,4a,4b,5,6,12-octahydrochrysen-1-one (3R,4aS,4bS,12aR)-8-methoxy-12a-methyl-3-prop-1-en-2-yl-2,3,4,4a,4b,5,6,12-octahydrochrysen-1-one
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Formula C23H28O2
InChI InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8-9,11,16,20-21H,1,5,7,10,12-13H2,2-4H3/t16-,20-,21+,23-/m1/s1
InChIKey NPDJALVODFIQEB-BMWHPICZSA-N
Molecular Weight 336.475 g/mol
SMILES C1=2[C@]([C@@]3(C[C@@](C(=C)C)(CC([C@@]3(CC2)C)=O)[H])[H])(CCc2c1ccc(OC)c2)[H]
SPLASH splash10-000i-0429000000-d6a0a557836551dd39d5
Source of Spectrum F-59-4291-9
Wiley ID 1678110