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Benzoic acid, 4,6-dimethoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]- 2-pentyl-, methyl ester
SpectraBase Compound ID LayL59qrR8U
InChI InChI=1S/C30H38O8/c1-7-9-11-13-20-15-19-16-21(33-3)17-24(26(19)30(32)37-20)38-28-22(14-12-10-8-2)27(29(31)36-6)23(34-4)18-25(28)35-5/h15-18H,7-14H2,1-6H3
InChIKey IYOIOUBACYQZTP-UHFFFAOYSA-N
Mol Weight 526.6 g/mol
Molecular Formula C30H38O8
Exact Mass 526.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uwtNJip7Sl
Name Benzoic acid, 4,6-dimethoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]- 2-pentyl-, methyl ester
CAS Registry Number 56484-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O8
InChI InChI=1S/C30H38O8/c1-7-9-11-13-20-15-19-16-21(33-3)17-24(26(19)30(32)37-20)38-28-22(14-12-10-8-2)27(29(31)36-6)23(34-4)18-25(28)35-5/h15-18H,7-14H2,1-6H3
InChIKey IYOIOUBACYQZTP-UHFFFAOYSA-N
Molecular Weight 526.626 g/mol
SMILES C1(c2c(Oc3c(c(C(=O)OC)c(cc3OC)OC)CCCCC)cc(cc2C=C(O1)CCCCC)OC)=O
SPLASH splash10-004i-0051890000-b7132793540a98481f84
Source of Spectrum B-28-857-0
Synonyms Methyl 4,2',4'-tri-O-methylisophysodate Methyl 4,6-dimethoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-pentylbenzoate
Wiley ID 1402839