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Chemical ID: 6633943
Chemical ID:
6633943
Name [?]:
10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
SMILES [?]:
CC12CCCC1C3C(CC2)C4(CCCCC4CC3=O)C
InChi [?]:
InChI=1/C19H30O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-15,17H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,13,4,15,5,9,3,12,10,17,16,6,8,18,7,2,11,19/rA:20cCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s2s9;s8;s11;s12;s13;s14;s11s15;s16;s7s17;d18;s11;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 9.17793 |
Area: | 421.547 |
Solvation: | -1.36074 |
Coulombic: | -9.82717 |
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: | 5.31 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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