Chemical ID: 5817291

CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C
Chemical ID:
5817291
Name [?]:
10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C
InChi [?]:
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,12,11,16,4,10,3,15,19,13,17,6,7,5,2,14,18/rA:20cCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2d9;s6;s11;s12;s5s13;s14;s15;s16;d17;s13s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:6
ZAP Information [?]
Total:8.95046
Area:424.319
Solvation:-1.65751
Coulombic:-9.96074
Bond Count [?]
All:23
Single:21
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:272.425
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.81
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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