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(cis)-5-(Benzyloxy)-9-(isopropyloxy)-1,3-dimethyl-1H-benzo[g]isochromane-7-carboxylic acid
SpectraBase Compound ID 5CYz00FXiXm
InChI InChI=1S/C26H28O5/c1-15(2)30-24-12-19(26(27)28)11-23-21(24)13-20-17(4)31-16(3)10-22(20)25(23)29-14-18-8-6-5-7-9-18/h5-9,11-13,15-17H,10,14H2,1-4H3,(H,27,28)/t16-,17+/m0/s1
InChIKey UWOUFOKASGCTMW-DLBZAZTESA-N
Mol Weight 420.51 g/mol
Molecular Formula C26H28O5
Exact Mass 420.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s8PMT1OQFV
Name (cis)-5-(Benzyloxy)-9-(isopropyloxy)-1,3-dimethyl-1H-benzo[g]isochromane-7-carboxylic acid
Alternate Name(s) (1R,3S)-5-(benzyloxy)-9-isopropoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid (1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g][2]benzopyran-7-carboxylic acid (1R,3S)-5-benzyloxy-9-isopropoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid (1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid
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Formula C26H28O5
InChI InChI=1S/C26H28O5/c1-15(2)30-24-12-19(26(27)28)11-23-21(24)13-20-17(4)31-16(3)10-22(20)25(23)29-14-18-8-6-5-7-9-18/h5-9,11-13,15-17H,10,14H2,1-4H3,(H,27,28)/t16-,17+/m0/s1
InChIKey UWOUFOKASGCTMW-DLBZAZTESA-N
Molecular Weight 420.505 g/mol
SMILES OC(c1cc2c(c3c(cc2c(c1)OC(C)C)[C@@](C)(O[C@](C3)(C)[H])[H])OCc1ccccc1)=O
SPLASH splash10-0006-9041300000-7d63a9c52a65a4c5bcc3
Source of Spectrum F5-2-2467-24
Wiley ID 1731991