Chemical ID: 4954461

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
Chemical ID:
4954461
Name [?]:
17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
InChi [?]:
InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,16-19H,5-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,14,13,5,6,18,10,17,9,21,2,15,19,12,4,7,11,16,8,3,20/rA:23cCCOCCCCCCCCCCCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;s10;s7s11;s12;s13;d14;s11s15;s16;s17;s18;d19;s15s19;s16;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:6
ZAP Information [?]
Total:8.98571
Area:474.194
Solvation:-2.86915
Coulombic:-15.5892
Bond Count [?]
All:26
Single:23
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.462
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):4.29

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