Chemical ID: 4960980

CC(=O)C1CCC2C1(C=CC3C2CCC4=CC(=O)CCC34C)C
Chemical ID:
4960980
Name [?]:
17-acetyl-10,13-dimethyl-1,2,6,7,8,9,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC(=O)C1CCC2C1(C=CC3C2CCC4=CC(=O)CCC34C)C
InChi [?]:
InChI=1/C21H28O2/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/h9,11-12,16-19H,4-8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,14,13,5,6,19,10,20,9,16,2,15,17,12,4,7,11,21,8,3,18/rA:23cCCOCCCCCCCCCCCCCCOCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;d9;s10;s7s11;s12;s13;s14;d15;s16;d17;s17;s19;s11s15s20;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:6
ZAP Information [?]
Total:8.79509
Area:476.67
Solvation:-3.12166
Coulombic:-16.355
Bond Count [?]
All:26
Single:22
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:312.446
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):4.37

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