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Benzoic acid, 2-hydroxy-3,4-bis[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
SpectraBase Compound ID 5dFo9aM456Z
InChI InChI=1S/C47H50O11/c1-7-16-32-23-35(39(26-37(32)52-4)55-28-30-19-12-10-13-20-30)45(49)57-41-25-34(18-9-3)42(47(51)54-6)43(48)44(41)58-46(50)36-24-33(17-8-2)38(53-5)27-40(36)56-29-31-21-14-11-15-22-31/h10-15,19-27,48H,7-9,16-18,28-29H2,1-6H3
InChIKey WDXXVYPBJMXVHG-UHFFFAOYSA-N
Mol Weight 790.9 g/mol
Molecular Formula C47H50O11
Exact Mass 790.335312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sZrh0Fqrvo
Name Benzoic acid, 2-hydroxy-3,4-bis[[4-methoxy-2-(phenylmethoxy)-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
Alternate Name(s) 1-Hydroxy-2-methoxycarbonyl-3-propyl-5,6-bis[(5'-propyl-4'-methoxy-2'-benzyloxy-phenyl)-carbonyloxy]-benzene Methyl 3,4-bis{[2-(benzyloxy)-4-methoxy-5-propylbenzoyl]oxy}-2-hydroxy-6-propylbenzoate
CAS Registry Number 103142-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H50O11
InChI InChI=1S/C47H50O11/c1-7-16-32-23-35(39(26-37(32)52-4)55-28-30-19-12-10-13-20-30)45(49)57-41-25-34(18-9-3)42(47(51)54-6)43(48)44(41)58-46(50)36-24-33(17-8-2)38(53-5)27-40(36)56-29-31-21-14-11-15-22-31/h10-15,19-27,48H,7-9,16-18,28-29H2,1-6H3
InChIKey WDXXVYPBJMXVHG-UHFFFAOYSA-N
Molecular Weight 790.906 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1OC(c1c(cc(c(c1)CCC)OC)OCc1ccccc1)=O)OC(c1c(cc(c(c1)CCC)OC)OCc1ccccc1)=O)CCC
SPLASH splash10-000x-9080000000-eca5b1c35449208e6388
Source of Spectrum B-39-622-18
Wiley ID 1417032