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Benzoic acid, 6-hydroxy-3-[[2-hydroxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-4-methoxy-2-pentyl-, phenylmethyl ester
SpectraBase Compound ID 6d5vNiDLxUS
InChI InChI=1S/C39H44O8/c1-4-6-10-20-29-22-30(45-25-27-16-12-8-13-17-27)23-32(40)35(29)39(43)47-37-31(21-11-7-5-2)36(33(41)24-34(37)44-3)38(42)46-26-28-18-14-9-15-19-28/h8-9,12-19,22-24,40-41H,4-7,10-11,20-21,25-26H2,1-3H3
InChIKey OVJAFPLQIZGPQA-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C39H44O8
Exact Mass 640.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhDSrUXY0uB
Name Benzoic acid, 6-hydroxy-3-[[2-hydroxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-4-methoxy-2-pentyl-, phenylmethyl ester
Alternate Name(s) Benzyl 3-(4'-benzyloxy-2'-hydroxy-6'-pentylbenzoyloxy)-6-hydroxy-2-pentylbenzoate benzyl 3-{[4-(benzyloxy)-2-hydroxy-6-pentylbenzoyl]oxy}-6-hydroxy-4-methoxy-2-pentylbenzoate
CAS Registry Number 124281-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H44O8
InChI InChI=1S/C39H44O8/c1-4-6-10-20-29-22-30(45-25-27-16-12-8-13-17-27)23-32(40)35(29)39(43)47-37-31(21-11-7-5-2)36(33(41)24-34(37)44-3)38(42)46-26-28-18-14-9-15-19-28/h8-9,12-19,22-24,40-41H,4-7,10-11,20-21,25-26H2,1-3H3
InChIKey OVJAFPLQIZGPQA-UHFFFAOYSA-N
Molecular Weight 640.773 g/mol
SMILES Oc1c(C(Oc2c(c(c(cc2OC)O)C(OCc2ccccc2)=O)CCCCC)=O)c(cc(c1)OCc1ccccc1)CCCCC
SPLASH splash10-0006-9022200000-28ca8525d130223f8995
Source of Spectrum B-42-993-17
Wiley ID 1412655