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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID AeyeQs2MQ9R
InChI InChI=1S/C34H40O9/c1-4-6-8-13-24-17-27(20-29(36)30(24)32(37)40-22-23-11-9-7-10-12-23)43-33(38)31-25(18-26(39-3)19-28(31)35)21-34(14-5-2)41-15-16-42-34/h7,9-12,17-20,35-36H,4-6,8,13-16,21-22H2,1-3H3
InChIKey VUQPVSDRSLQDLB-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C34H40O9
Exact Mass 592.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z3rv4T82Mz
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-pentyl-, phenylmethyl ester
CAS Registry Number 127743-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O9
InChI InChI=1S/C34H40O9/c1-4-6-8-13-24-17-27(20-29(36)30(24)32(37)40-22-23-11-9-7-10-12-23)43-33(38)31-25(18-26(39-3)19-28(31)35)21-34(14-5-2)41-15-16-42-34/h7,9-12,17-20,35-36H,4-6,8,13-16,21-22H2,1-3H3
InChIKey VUQPVSDRSLQDLB-UHFFFAOYSA-N
Molecular Weight 592.685 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-014l-5900000000-9d122be07ff80d1e705f
Source of Spectrum B-42-1978-32
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate Benzyl 2-hydroxy-4-[(2'-hydroxy-4'-methoxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-pentylbenzoate Benzyl glomelliferate ethylene acetal
Wiley ID 1409499