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Chemical ID: 6634525
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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