Chemical ID: 6633943

CC12CCCC1C3C(CC2)C4(CCCCC4CC3=O)C
Chemical ID:
6633943
Name [?]:
10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
SMILES [?]:
CC12CCCC1C3C(CC2)C4(CCCCC4CC3=O)C
InChi [?]:
InChI=1/C19H30O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-15,17H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,13,4,15,5,9,3,12,10,17,16,6,8,18,7,2,11,19/rA:20cCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s2s9;s8;s11;s12;s13;s14;s11s15;s16;s7s17;d18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:6
ZAP Information [?]
Total:9.17793
Area:421.547
Solvation:-1.36074
Coulombic:-9.82717
Bond Count [?]
All:23
Single:22
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:274.441
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.31
LogP (Chemaxon):5.08

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