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Benzoic acid, 2-heptyl-6-hydroxy-4-[[4-methoxy-2-methyl-6-(phenylmethoxy)benzoyl]oxy]-, phenylmethyl ester
SpectraBase Compound ID KCOcl93LOCK
InChI InChI=1S/C37H40O7/c1-4-5-6-7-14-19-29-21-31(22-32(38)35(29)36(39)43-25-28-17-12-9-13-18-28)44-37(40)34-26(2)20-30(41-3)23-33(34)42-24-27-15-10-8-11-16-27/h8-13,15-18,20-23,38H,4-7,14,19,24-25H2,1-3H3
InChIKey MXGUPKIVBGLGIE-UHFFFAOYSA-N
Mol Weight 596.7 g/mol
Molecular Formula C37H40O7
Exact Mass 596.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHPdpnR5GpJ
Name Benzoic acid, 2-heptyl-6-hydroxy-4-[[4-methoxy-2-methyl-6-(phenylmethoxy)benzoyl]oxy]-, phenylmethyl ester
CAS Registry Number 111699-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40O7
InChI InChI=1S/C37H40O7/c1-4-5-6-7-14-19-29-21-31(22-32(38)35(29)36(39)43-25-28-17-12-9-13-18-28)44-37(40)34-26(2)20-30(41-3)23-33(34)42-24-27-15-10-8-11-16-27/h8-13,15-18,20-23,38H,4-7,14,19,24-25H2,1-3H3
InChIKey MXGUPKIVBGLGIE-UHFFFAOYSA-N
Molecular Weight 596.720 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)OC)OCc2ccccc2)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC
SPLASH splash10-00di-0900000000-a9dac2d292734b03fb27
Source of Spectrum B-40-428-15
Synonyms 4-[(benzyloxy)carbonyl]-3-heptyl-5-hydroxyphenyl 2-(benzyloxy)-4-methoxy-6-methylbenzoate Benzyl 2-O-benzylsphaerophorinate
Wiley ID 1409846