Chemical ID: 4931237

COC(=O)CCC(=O)c1ccc2c(c1)CC3(C2)Cc4ccc(cc4C3)C(=O)CCC(=O)OC
Chemical ID:
4931237
Name [?]:
None
SMILES [?]:
COC(=O)CCC(=O)c1ccc2c(c1)CC3(C2)Cc4ccc(cc4C3)C(=O)CCC(=O)OC
InChi [?]:
InChI=1/C27H28O6/c1-32-25(30)9-7-23(28)17-3-5-19-13-27(15-21(19)11-17)14-20-6-4-18(12-22(20)16-27)24(29)8-10-26(31)33-2/h3-6,11-12H,7-10,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,10,21,11,20,6,28,5,29,14,23,17,18,15,25,9,22,12,19,13,24,7,26,3,30,16,8,27,4,31,2,32/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(28,29)(30,31)(32,33)/rA:33nCOCOCCCOCCCCCCCCCCCCCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s16s24;s22;d26;s26;s28;s29;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.8723
Area:725.422
Solvation:-5.2633
Coulombic:-51.2808
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:448.508
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.96
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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