Chemical ID: 4559236

CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C(=C(O5)CCC(C)CNC(=O)C)C)C)C
Chemical ID:
4559236
Name [?]:
None
SMILES [?]:
CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C(=C(O5)CCC(C)CNC(=O)C)C)C)C
InChi [?]:
InChI=1/C35H55NO4/c1-7-8-9-10-32(38)39-26-15-17-34(5)25(19-26)12-13-27-28(34)16-18-35(6)29(27)20-31-33(35)23(3)30(40-31)14-11-22(2)21-36-24(4)37/h12,22,26-29,31,33H,7-11,13-21H2,1-6H3,(H,36,37)
InChi Info:
AuxInfo=1/1/N:1,32,38,37,40,39,2,3,4,5,30,20,19,29,10,14,11,15,22,23,33,31,26,35,21,9,18,13,17,27,24,6,25,12,16,34,36,7,8,28/rA:40cCCCCCCOOCCCCCCCCCCCCCCCCCCCOCCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s18;s19;s12d20;s9s21;s17;s23;s16s24;s25;d26;s24s27;s27;s29;s30;s31;s31;s33;s34;d35;s35;s26;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H55NO4
All Atoms:40
Heavy Atoms:40
Chiral Atoms:9
ZAP Information [?]
Total:16.7478
Area:840.042
Solvation:-4.25326
Coulombic:-48.8906
Bond Count [?]
All:44
Single:40
Double:4
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:553.816
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.7
LogP (Chemaxon):5.13

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