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Chemical ID: 6047310
Chemical ID:
6047310
Name [?]:
17-(4-hydroxy-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SMILES [?]:
CC(CCCO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChi [?]:
InChI=1/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,28,4,3,8,9,21,20,5,23,17,13,2,18,22,7,10,14,16,12,15,19,11,6,24,26,27/rA:28cCCCCCOCCCCCCCCCCCCCCCCCOCOOC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;s19;s20;s21;s18s22;s22;s19;s16;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H42O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 11 |
ZAP Information [?]
Total: | 9.60378 |
Area: | 566.707 |
Solvation: | -4.56391 |
Coulombic: | -69.0782 |
Bond Count [?]
All: | 31 |
Single: | 31 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.588 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.44 |
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.
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