Chemical ID: 5226822

CC(=O)Oc1cc(ccc1C(=O)C=Cc2cc(c(c(c2OC)OC)OC)OC)OCc3ccccc3
Chemical ID:
5226822
Name [?]:
[5-benzyloxy-2-[3-(2,3,4,5-tetramethoxyphenyl)prop-2-enoyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1cc(ccc1C(=O)C=Cc2cc(c(c(c2OC)OC)OC)OC)OCc3ccccc3
InChi [?]:
InChI=1/C28H28O8/c1-18(29)36-24-16-21(35-17-19-9-7-6-8-10-19)12-13-22(24)23(30)14-11-20-15-25(31-2)27(33-4)28(34-5)26(20)32-3/h6-16H,17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,22,26,24,34,33,35,32,36,14,8,9,13,16,6,30,2,31,15,7,10,11,5,17,20,18,19,3,12,27,21,25,23,29,4/E:(7,8)(9,10)/rA:36nCCOOCCCCCCCOCCCCCCCCOCOCOCOCOCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;s18;s25;s17;s27;s7;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28O8
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.40121
Area:722.386
Solvation:-9.65844
Coulombic:-63.8567
Bond Count [?]
All:38
Single:26
Double:12
Rotors:12
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:492.517
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.38
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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