Chemical ID: 6634525

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=NO)CC4C3(CCCC4)C)C
Chemical ID:
6634525
Name [?]:
17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one oxime
SMILES [?]:
CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=NO)CC4C3(CCCC4)C)C
InChi [?]:
InChI=1/C27H47NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28-29/h18-23,25,29H,6-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,28,29,26,25,5,4,6,27,10,11,15,24,14,21,2,7,22,9,12,16,18,17,23,13,19,20/E:(1,2)/rA:29cCCCCCCCCCCCCCCCCCCNOCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s9s12;s13;s14;s15;s12s16;s17;w18;s19;s18;s21;s16s22;s23;s24;s25;s22s26;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H47NO
All Atoms:29
Heavy Atoms:29
Chiral Atoms:8
ZAP Information [?]
Total:13.9901
Area:612.987
Solvation:-1.33456
Coulombic:-17.5946
Bond Count [?]
All:32
Single:31
Double:1
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:401.668
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:9.08
LogP (Chemaxon):8.01

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