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Chemical ID: 4559236
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.
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Experimental Annotations
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Descriptor Annotations
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