Chemical ID: 3966295

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
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

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