ChemDB: Chemical Search
Download
Chemical ID: 5056051
Chemical ID:
5056051
Name [?]:
10,13-dimethyl-17-(1-methylpentyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES [?]:
CCCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChi [?]:
InChI=1/C25H42O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h8,17,19-23,26H,5-7,9-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,6,25,26,2,3,4,17,16,8,9,21,13,20,12,23,5,18,22,15,7,10,14,19,11,24/rA:26cCCCCCCCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;d17;s14s18;s19;s20;s21;s18s22;s22;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H42O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 12.4297 |
Area: | 557.928 |
Solvation: | -1.51851 |
Coulombic: | -21.7601 |
Bond Count [?]
All: | 29 |
Single: | 28 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.6 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.33 |
LogP (Chemaxon): | 6.45 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|