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(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one
SpectraBase Compound ID KBqhYkomLIf
InChI InChI=1S/C22H24O7/c1-25-16-6-5-14(9-18(16)27-3)22(24)15-10-19(28-4)17(26-2)8-12(15)7-13-11-29-21(23)20(13)22/h5-6,8-10,13,20,24H,7,11H2,1-4H3/t13-,20-,22-/m0/s1
InChIKey BOECVXCPXGRVDM-JYYJXNPCSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cys9Cm9XBYI
Name (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one
Alternate Name(s) (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenz[f]isobenzofuran-3-one (3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxidanyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
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Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-25-16-6-5-14(9-18(16)27-3)22(24)15-10-19(28-4)17(26-2)8-12(15)7-13-11-29-21(23)20(13)22/h5-6,8-10,13,20,24H,7,11H2,1-4H3/t13-,20-,22-/m0/s1
InChIKey BOECVXCPXGRVDM-JYYJXNPCSA-N
Molecular Weight 400.427 g/mol
SMILES O[C@]1(c2c(cc(c(c2)OC)OC)C[C@@]2([C@]1(C(OC2)=O)[H])[H])c1cc(OC)c(cc1)OC
SPLASH splash10-0f79-0094500000-a1e32656c7097684a778
Source of Spectrum KC-0-3015-7
Wiley ID 784724