Chemical ID: 6634511

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(=O)CCC4)C)C
Chemical ID:
6634511
Name [?]:
17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
SMILES [?]:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(=O)CCC4)C)C
InChi [?]:
InChI=1/C27H46O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h18-24H,6-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,28,27,5,25,4,6,26,24,19,18,10,11,15,14,2,7,20,17,9,12,16,22,13,21,23/E:(1,2)/rA:28cCCCCCCCCCCCCCCCCCCCCCCOCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s9s12;s13;s14;s15;s12s16;s17;s18;s19;s16s20;s21;d22;s22;s24;s20s25;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H46O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:8
ZAP Information [?]
Total:13.4587
Area:592.398
Solvation:-1.35126
Coulombic:-12.3758
Bond Count [?]
All:31
Single:30
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:386.654
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.64
LogP (Chemaxon):8.28

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