Chemical ID: 4891442

CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
4891442
Name [?]:
ethyl 2-tert-butyl-5-(3,4,5-trimethoxybenzoyl)oxy-benzofuran-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C25H28O8/c1-8-31-24(27)20-16-13-15(9-10-17(16)33-22(20)25(2,3)4)32-23(26)14-11-18(28-5)21(30-7)19(12-14)29-6/h9-13H,8H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,29,33,31,2,10,11,27,23,8,22,9,7,12,26,24,6,25,14,20,4,15,21,5,28,32,30,3,19,13/E:(2,3,4)(5,6)(11,12)(18,19)(28,29)/rA:33nCCOCOCCCCCCCOCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;d6s13;s14;s15;s15;s15;s9;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28O8
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.212
Area:698.846
Solvation:-7.25912
Coulombic:-67.7003
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:456.485
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.17
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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