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Chemical ID: 5578482
Chemical ID:
5578482
Name [?]:
10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES [?]:
CC12CCCC1C3CCC4CC(CCC4(C3CC2)C)O
InChi [?]:
InChI=1/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,4,5,9,8,13,17,3,18,14,11,10,12,7,6,16,2,15,20/rA:20cCCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7s15;s16;s2s17;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 9.43496 |
Area: | 432.661 |
Solvation: | -1.38157 |
Coulombic: | -19.9454 |
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: | 5.94 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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