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Chemical ID: 3966295
Chemical ID:
3966295
Name [?]:
9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
InChi [?]:
InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,25,7,6,12,13,3,9,17,22,2,8,10,5,4,16,20,14,18,15,19,27,23,11,26,21,24/rA:28cCCCCCCCCCCOCCCCCCCCCOCOOCOFC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s10;d12;s8s13;s5s14;s15;s16;s4s17;s2s18;s19;d20;s20;s22;s19;s18;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FO5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 5.50964 |
Area: | 523.825 |
Solvation: | -7.58598 |
Coulombic: | -71.9925 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 392.461 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.14 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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