Chemical ID: 5257424

CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)c4ccoc4)C)C(=O)OC
Chemical ID:
5257424
Name [?]:
None
SMILES [?]:
CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)c4ccoc4)C)C(=O)OC
InChi [?]:
InChI=1/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,21,31,10,23,9,24,6,16,26,2,22,11,7,5,15,19,18,28,12,8,17,3,20,29,13,30,25,4,14/rA:31cCCOOCCCCCCCCOOCCCCCOCCCCOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s11s16;s8s17;s5s18;d19;s17;s15;s22;d23;s24;d22s25;s8;s7;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28O8
All Atoms:31
Heavy Atoms:31
Chiral Atoms:7
ZAP Information [?]
Total:7.59694
Area:603.296
Solvation:-7.48545
Coulombic:-65.7838
Bond Count [?]
All:34
Single:28
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:432.464
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.26
LogP (Chemaxon):2.73

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue