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Chemical ID: 6634511
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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