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Mirandin A (3A)
SpectraBase Compound ID Ag0elucd8Ki
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
InChIKey MRRHZTMSIVTFSK-UHFFFAOYSA-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 DvPASLVB2G3
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.alpha.)]-
CAS Registry Number 75363-17-6
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
InChIKey MRRHZTMSIVTFSK-UHFFFAOYSA-N
Molecular Weight 386.444 g/mol
SMILES CC1C(c2cc(c(c(c2)OC)OC)OC)OC2=CC(C(=CC12OC)CC=C)=O
SPLASH splash10-05n0-0966000000-4364d7be96afb5a26b5d
Source of Spectrum W5-32890-32646-32646
Synonyms 5-Allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,3a-dihydro-1-benzofuran-6(2H)-one 3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one 3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzofuran-6-one 5-Allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzofuran-6-one
Wiley ID 1362690