Chemical ID: 6633680

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)C5CCCCC5)C)O
Chemical ID:
6633680
Name [?]:
16-cyclohexyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SMILES [?]:
CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)C5CCCCC5)C)O
InChi [?]:
InChI=1/C25H38O2/c1-24-12-10-18(26)14-17(24)8-9-19-21(24)11-13-25(2)22(19)15-20(23(25)27)16-6-4-3-5-7-16/h8,16,18-22,26H,3-7,9-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,23,22,24,21,25,8,9,4,12,3,13,6,16,20,7,5,10,17,11,15,18,2,14,27,19/E:(4,5)(6,7)/rA:27cCCCCCCCCCCCCCCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;s9;s2s10;s11;s12;s13;s10s14;s15;s16;s14s17;d18;s17;s20;s21;s22;s23;s20s24;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H38O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:7
ZAP Information [?]
Total:10.8857
Area:549.387
Solvation:-2.84896
Coulombic:-27.5028
Bond Count [?]
All:31
Single:29
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:370.568
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.51
LogP (Chemaxon):5.79

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Descriptor Annotations

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