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Chemical ID: 5566559
Chemical ID:
5566559
Name [?]:
10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C
InChi [?]:
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,9,8,14,18,3,19,15,11,10,12,7,6,17,2,16,13/rA:20cCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s10s15;s7s16;s17;s2s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 9.19196 |
Area: | 429.072 |
Solvation: | -1.53485 |
Coulombic: | -9.42723 |
Bond Count [?]
All: | 23 |
Single: | 22 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 274.441 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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