Chemical ID: 6424139

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C
Chemical ID:
6424139
Name [?]:
(4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) acetate
SMILES [?]:
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C
InChi [?]:
InChI=1/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3
InChi Info:
AuxInfo=1/0/N:1,29,30,11,12,31,34,33,32,21,13,17,6,22,14,18,7,27,28,25,2,9,20,16,24,5,26,10,23,8,15,19,3,4/E:(2,3)(4,5)/rA:34cCCOOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s10;s9;s13;s14;s8s15;s16;s17;s18;s15s19;d20;s21;s22;s19s23;s24;s25;s26;s23s27;s26;s26;s23;s19;s15;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H52O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:8
ZAP Information [?]
Total:14.7374
Area:649.095
Solvation:-1.48996
Coulombic:-23.3917
Bond Count [?]
All:38
Single:36
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:468.754
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:9.56
LogP (Chemaxon):8.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue