Chemical ID: 4556332

Cc1c(c(=O)c2c(o1)cc(cc2OC(=O)C)OC(=O)C)c3ccc4c(c3)OCCO4
Chemical ID:
4556332
Name [?]:
[7-acetoxy-3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-methyl-4-oxo-chromen-5-yl] acetate
SMILES [?]:
Cc1c(c(=O)c2c(o1)cc(cc2OC(=O)C)OC(=O)C)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C22H18O8/c1-11-20(14-4-5-16-17(8-14)27-7-6-26-16)22(25)21-18(28-11)9-15(29-12(2)23)10-19(21)30-13(3)24/h4-5,8-10H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,16,22,23,29,28,26,9,11,2,18,14,21,10,24,25,7,12,3,6,4,19,15,5,30,27,8,17,13/rA:30nCCCCOCCOCCCCOCOCOCOCCCCCCCOCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d7;s9;d10;d6s11;s12;s13;d14;s14;s10;s17;d18;s18;s3;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.33138
Area:606.394
Solvation:-5.82846
Coulombic:-64.4842
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:410.374
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.96
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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