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MIRANDIN-B
SpectraBase Compound ID EQTMpv6raIX
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-NJDIQBRYSA-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 Hw5TN5i85Kx
Name (2R,3S,3aS)-3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one
CAS Registry Number 75363-19-8
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-NJDIQBRYSA-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 splash10-05n1-0956000000-a4c9c94eb50a392d9232
Source of Spectrum W5-32892-32644-32644
Synonyms (2R,3S,3aS)-3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzofuran-6-one (2R,3S,3aS)-5-allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzofuran-6-one
Wiley ID 1362692