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6(2H)-Benzofuranone, 3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-2-(3,4,5-trimethoxyphenyl)-, [2S-(2.alpha.,3.alpha.,3a.beta.)]-
SpectraBase Compound ID CloBfDkpttZ
InChI InChI=1S/C22H26O6/c1-7-8-14-12-22(27-6)13(2)20(28-19(22)11-16(14)23)15-9-17(24-3)21(26-5)18(10-15)25-4/h7,9-13,20H,1,8H2,2-6H3/t13-,20-,22+/m0/s1
InChIKey MRRHZTMSIVTFSK-DLQQFWPKSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7STr4nFOgg0
Name 6(2H)-Benzofuranone, 3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-2-(3,4,5-trimethoxyphenyl)-, [2S-(2.alpha.,3.alpha.,3a.beta.)]-
Alternate Name(s) (2S,3S,3aR)-5-allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,3a-dihydro-1-benzofuran-6(2H)-one
CAS Registry Number 75363-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-7-8-14-12-22(27-6)13(2)20(28-19(22)11-16(14)23)15-9-17(24-3)21(26-5)18(10-15)25-4/h7,9-13,20H,1,8H2,2-6H3/t13-,20-,22+/m0/s1
InChIKey MRRHZTMSIVTFSK-DLQQFWPKSA-N
Molecular Weight 386.444 g/mol
SMILES [C@@]12(C(O[C@@]([C@@]2(C)[H])(c2cc(OC)c(c(c2)OC)OC)[H])=CC(C(=C1)CC=C)=O)OC
SPLASH splash10-052r-0696000000-51f48abcaf3ed011255a
Source of Spectrum W5-32891-32645-32645
Wiley ID 1362691