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Benzoic acid, 2,4-bis(acetyloxy)-3-[[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
SpectraBase Compound ID 876lMjA3QkN
InChI InChI=1S/C28H32O11/c1-8-10-18-12-20(34-6)14-21(36-15(3)29)23(18)28(33)39-25-22(37-16(4)30)13-19(11-9-2)24(27(32)35-7)26(25)38-17(5)31/h12-14H,8-11H2,1-7H3
InChIKey BMBVHLADARWBNN-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C28H32O11
Exact Mass 544.194462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3wbk9Kl1Tq
Name Benzoic acid, 2,4-bis(acetyloxy)-3-[[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
CAS Registry Number 15081-05-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O11
InChI InChI=1S/C28H32O11/c1-8-10-18-12-20(34-6)14-21(36-15(3)29)23(18)28(33)39-25-22(37-16(4)30)13-19(11-9-2)24(27(32)35-7)26(25)38-17(5)31/h12-14H,8-11H2,1-7H3
InChIKey BMBVHLADARWBNN-UHFFFAOYSA-N
Molecular Weight 544.553 g/mol
SMILES c1(c(c(C(=O)OC)c(cc1OC(=O)C)CCC)OC(=O)C)OC(c1c(cc(cc1CCC)OC)OC(=O)C)=O
SPLASH splash10-0006-0940000000-3c756fc8d86c9590fa0b
Source of Spectrum B-39-624-27
Synonyms p-Anisic acid, 2-hydroxy-6-propyl-, 3-ester with methyl 2,3,4-trihydroxy-6-propylbenzoate, triacetate 2',4'-Diacetoxy-4'-methoxycarbonyl-5'-propylphenyl 2-acetoxy-4-methoxy-6-propylbenzoate Methyl 2,4-bis(acetyloxy)-3-{[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy}-6-propylbenzoate
Wiley ID 1405041