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Chemical ID: 6633852
Chemical ID:
6633852
Name [?]:
10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol
SMILES [?]:
CC12CCCC1C3CCC4CCCCC4(C3C(C2)O)C
InChi [?]:
InChI=1/C19H32O/c1-18-10-5-7-15(18)14-9-8-13-6-3-4-11-19(13,2)17(14)16(20)12-18/h13-17,20H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,13,4,11,5,9,8,3,14,18,10,7,6,17,16,2,15,19/rA:20cCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7s15;s16;s2s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 9.41526 |
Area: | 423.788 |
Solvation: | -1.17944 |
Coulombic: | -20.188 |
Bond Count [?]
All: | 23 |
Single: | 23 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 276.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.73 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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