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(3aR*11bR*11cS*)-11-Methoxy-3a,6,6,9-tetramethyl-3a,4,11b,11c-tetrahydro-1H-isobenzofuro[5,4-c]chromen-1,3(6H)-dione
SpectraBase Compound ID 18AsPro4tyK
InChI InChI=1S/C20H22O5/c1-10-8-13(23-5)15-14(9-10)25-19(2,3)11-6-7-12-17(21)24-18(22)20(12,4)16(11)15/h6,8-9,12,16H,7H2,1-5H3/t12-,16+,20+/m0/s1
InChIKey XOAVIQWNPWYYQR-BXJCWQANSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2bIMNlwWU8
Name (3aR*11bR*11cS*)-11-Methoxy-3a,6,6,9-tetramethyl-3a,4,11b,11c-tetrahydro-1H-isobenzofuro[5,4-c]chromen-1,3(6H)-dione
Appearance White solid
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Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-10-8-13(23-5)15-14(9-10)25-19(2,3)11-6-7-12-17(21)24-18(22)20(12,4)16(11)15/h6,8-9,12,16H,7H2,1-5H3/t12-,16+,20+/m0/s1
InChIKey XOAVIQWNPWYYQR-BXJCWQANSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.202000343
Molecular Weight 342.391 g/mol
Reported Formula C20H22O5
SMILES c1c(c2c(cc1C)OC(C=1[C@]2([C@]2([C@@](CC1)(C(OC2=O)=O)[H])C)[H])(C)C)OC
SPLASH splash10-014i-0090000000-c1793eb9831e1de16ec1
Source of Spectrum CHO-10-SM21-21
Thin-Layer Chromatography Rf = 0.38 (CH/EtOAc, 3:1)
Wiley ID 1865939