Chemical ID: 6633664

CC12CCC3C(C1CCC2O)CCC4C3(CC(=O)CC4)C
Chemical ID:
6633664
Name [?]:
17-hydroxy-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
SMILES [?]:
CC12CCC3C(C1CCC2O)CCC4C3(CC(=O)CC4)C
InChi [?]:
InChI=1/C19H30O2/c1-18-10-9-16-14(15(18)7-8-17(18)21)6-4-12-3-5-13(20)11-19(12,16)2/h12,14-17,21H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,20,13,19,12,8,9,4,3,16,14,17,6,7,5,10,2,15,18,11/rA:21cCCCCCCCCCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;s5s14;s15;s16;d17;s17;s14s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:7
ZAP Information [?]
Total:8.2554
Area:441.353
Solvation:-2.77842
Coulombic:-25.4298
Bond Count [?]
All:24
Single:23
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:290.44
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):3.93

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Descriptor Annotations

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