Chemical ID: 5581067

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
Chemical ID:
5581067
Name [?]:
17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
InChi [?]:
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,27,28,5,4,6,19,18,10,11,23,15,22,14,26,2,7,20,24,17,9,12,16,21,13,25/E:(1,2)/rA:28cCCCCCCCCCCCCCCCCCCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s9s12;s13;s14;s15;s12s16;s17;s18;d19;s16s20;s21;s22;s23;d24;s20s24;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H44O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:7
ZAP Information [?]
Total:13.4008
Area:598.444
Solvation:-1.56025
Coulombic:-12.0389
Bond Count [?]
All:31
Single:29
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.638
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.98
LogP (Chemaxon):7.38

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