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3,4-TRANS-3-METHYL-4-[(3,4-DIHYDROXY-5-METHOXYPHENYL)-(3,4,5-TRIMETHOXYPHENYL)-METHYL]-BUTYROLACTONE
SpectraBase Compound ID HWVJwGvEpyi
InChI InChI=1S/C22H26O8/c1-11-14(10-30-22(11)25)19(12-6-15(23)20(24)16(7-12)26-2)13-8-17(27-3)21(29-5)18(9-13)28-4/h6-9,11,14,19,23-24H,10H2,1-5H3/t11-,14+,19?/m0/s1
InChIKey HTHZLCXYYQFBSC-WHRCVXDFSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24YKiLKFQdN
Name (3,4-trans)-3-Methyl-4-[(3',4'-dihydroxy-5'-methoxyphenyl)-(3",4",5"-trimethoxyphenyl)methyl]-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-11-14(10-30-22(11)25)19(12-6-15(23)20(24)16(7-12)26-2)13-8-17(27-3)21(29-5)18(9-13)28-4/h6-9,11,14,19,23-24H,10H2,1-5H3/t11-,14+,19?/m0/s1
InChIKey HTHZLCXYYQFBSC-WHRCVXDFSA-N
Molecular Weight 418.442 g/mol
SMILES Oc1c(cc(cc1OC)C(c1cc(OC)c(c(c1)OC)OC)[C@]1([C@@](C(=O)OC1)(C)[H])[H])O
SPLASH splash10-014i-0009100000-fdd7994ad0ebd864944c
Source of Spectrum G4-70-664-1
Synonyms (3S,4S)-4-[(3,4-dihydroxy-5-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyl-2-oxolanone (3S,4S)-4-[(3,4-dihydroxy-5-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one (3S,4S)-4-[[3-methoxy-4,5-bis(oxidanyl)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-3-methyl-oxolan-2-one
Wiley ID 1694731