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Chemical ID: 6633664
Chemical ID:
6633664
Name [?]:
17-hydroxy-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
SMILES [?]:
CC12CCC3C(C1CCC2O)CCC4C3(CC(=O)CC4)C
InChi [?]:
InChI=1/C19H30O2/c1-18-10-9-16-14(15(18)7-8-17(18)21)6-4-12-3-5-13(20)11-19(12,16)2/h12,14-17,21H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,20,13,19,12,8,9,4,3,16,14,17,6,7,5,10,2,15,18,11/rA:21cCCCCCCCCCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;s5s14;s15;s16;d17;s17;s14s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 8.2554 |
Area: | 441.353 |
Solvation: | -2.77842 |
Coulombic: | -25.4298 |
Bond Count [?]
All: | 24 |
Single: | 23 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 290.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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