Chemical ID: 4557646

CCCc1cc2c(cc1OCC(=O)OC)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
Chemical ID:
4557646
Name [?]:
methyl 2-[3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxyacetate
SMILES [?]:
CCCc1cc2c(cc1OCC(=O)OC)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
InChi [?]:
InChI=1/C24H24O7/c1-4-5-15-10-17-20(12-19(15)30-13-22(25)27-3)31-14(2)23(24(17)26)16-6-7-18-21(11-16)29-9-8-28-18/h6-7,10-12H,4-5,8-9,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,15,2,3,22,23,29,28,5,26,8,11,17,4,21,6,24,9,7,25,12,18,19,13,20,14,30,27,10,16/rA:31nCCCCCCCCCOCCOOCOCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s7;s16;d17;s6s18;d19;s18;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.96462
Area:652.535
Solvation:-6.34876
Coulombic:-58.2974
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.443
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.27
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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