Chemical ID: 4558437

CCOC(=O)C(C)Oc1ccc2c(c1)oc(c(c2=O)c3ccc4c(c3)OCCCO4)C
Chemical ID:
4558437
Name [?]:
ethyl 2-[3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-methyl-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)oc(c(c2=O)c3ccc4c(c3)OCCCO4)C
InChi [?]:
InChI=1/C24H24O7/c1-4-27-24(26)15(3)30-17-7-8-18-20(13-17)31-14(2)22(23(18)25)16-6-9-19-21(12-16)29-11-5-10-28-19/h6-9,12-13,15H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,7,2,28,21,10,11,22,29,27,25,14,16,6,20,9,12,23,13,24,17,18,4,19,5,3,30,26,8,15/rA:31cCCOCOCCOCCCCCCOCCCOCCCCCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;d21;s22;d23;d20s24;s24;s26;s27;s28;s23s29;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.35677
Area:646.601
Solvation:-6.80825
Coulombic:-57.8497
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:424.443
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.32
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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