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Benzoic acid, 2,4-dihydroxy-3-[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
SpectraBase Compound ID 15tHUXCvBht
InChI InChI=1S/C29H32O8/c1-5-10-19-14-21(34-3)16-23(36-17-18-12-8-7-9-13-18)24(19)29(33)37-27-22(30)15-20(11-6-2)25(26(27)31)28(32)35-4/h7-9,12-16,30-31H,5-6,10-11,17H2,1-4H3
InChIKey GDYXQLJAOFFWFP-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C29H32O8
Exact Mass 508.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeLIMcvBNgK
Name Benzoic acid, 2,4-dihydroxy-3-[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
CAS Registry Number 103142-19-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O8
InChI InChI=1S/C29H32O8/c1-5-10-19-14-21(34-3)16-23(36-17-18-12-8-7-9-13-18)24(19)29(33)37-27-22(30)15-20(11-6-2)25(26(27)31)28(32)35-4/h7-9,12-16,30-31H,5-6,10-11,17H2,1-4H3
InChIKey GDYXQLJAOFFWFP-UHFFFAOYSA-N
Molecular Weight 508.567 g/mol
SMILES Oc1c(c(c(c(c1)CCC)C(=O)OC)O)OC(c1c(cc(cc1CCC)OC)OCc1ccccc1)=O
SPLASH splash10-001i-0190000000-40e7da6fa6ba26708137
Source of Spectrum B-39-621-17
Synonyms 2',6'-Dihydroxy-3'-methoxycarbonyl-4'-propyl 2-benzyloxy-4-methoxy-6-propylbenzoate Methyl 3-{[2-(benzyloxy)-4-methoxy-6-propylbenzoyl]oxy}-2,4-dihydroxy-6-propylbenzoate
Wiley ID 1400187