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Chemical ID: 4581025
Chemical ID:
4581025
Name [?]:
None
SMILES [?]:
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
InChi [?]:
InChI=1/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3
InChi Info:
AuxInfo=1/0/N:3,1,27,28,31,30,25,26,10,11,5,19,15,6,14,20,24,23,2,4,9,18,12,16,8,17,7,13,22,21,29/E:(3,4)/rA:31cCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s18;s19;s12s20;s9s21;s22;s7s23;s22;s21;s17;s17;s16;s13;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H50O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | 12.9162 |
Area: | 571.061 |
Solvation: | -1.3603 |
Coulombic: | -23.0563 |
Bond Count [?]
All: | 35 |
Single: | 34 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 426.717 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 9.37 |
LogP (Chemaxon): | 8.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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