Chemical ID: 6634416

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCCC4)C)O)C
Chemical ID:
6634416
Name [?]:
17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol
SMILES [?]:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCCC4)C)O)C
InChi [?]:
InChI=1/C27H48O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-25,28H,6-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,26,28,24,23,5,4,6,25,10,11,15,22,14,18,2,7,17,9,12,16,20,19,21,13,27/E:(1,2)/rA:28cCCCCCCCCCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s9s12;s13;s14;s15;s12s16;s17;s18;s19;s16s20;s21;s22;s23;s20s24;s21;s19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H48O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:9
ZAP Information [?]
Total:13.6605
Area:596.215
Solvation:-1.24489
Coulombic:-22.2018
Bond Count [?]
All:31
Single:31
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.669
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:9.25
LogP (Chemaxon):7.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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