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Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-pentyl-
SpectraBase Compound ID 3WH4ctx7kjz
InChI InChI=1S/C23H28O7/c1-4-6-7-9-15-11-17(13-18(24)20(15)22(26)27)30-23(28)21-14(8-5-2)10-16(29-3)12-19(21)25/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey XZVFRLDHIHBLGT-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZG78ndvcq3
Name Benzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-pentyl-
CAS Registry Number 27240-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-4-6-7-9-15-11-17(13-18(24)20(15)22(26)27)30-23(28)21-14(8-5-2)10-16(29-3)12-19(21)25/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey XZVFRLDHIHBLGT-UHFFFAOYSA-N
Molecular Weight 416.470 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCC)OC)O)=O
SPLASH splash10-0hfx-1920000000-cd8e6457be7f67a438d5
Source of Spectrum B-27-1778-13
Synonyms .beta.-resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-propyl-p-anisate) 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-pentylbenzoic acid Stenosporic acid
Wiley ID 1376352