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Chemical ID: 6634423
Chemical ID:
6634423
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-7-ol
SMILES [?]:
CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCCC4)C)O)C
InChi [?]:
InChI=1/C27H48O/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/h18-25,28H,6-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,26,28,24,23,5,4,6,25,10,11,15,22,14,19,2,7,20,9,12,16,18,17,21,13,27/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;s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H48O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 13.6109 |
Area: | 591.383 |
Solvation: | -1.17364 |
Coulombic: | -22.1439 |
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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