Chemical ID: 5566559

CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C
Chemical ID:
5566559
Name [?]:
10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C
InChi [?]:
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,9,8,14,18,3,19,15,11,10,12,7,6,17,2,16,13/rA:20cCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s10s15;s7s16;s17;s2s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:6
ZAP Information [?]
Total:9.19196
Area:429.072
Solvation:-1.53485
Coulombic:-9.42723
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:5.53
LogP (Chemaxon):4.85

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