Chemical ID: 6633704

CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4(C)O)C
Chemical ID:
6633704
Name [?]:
17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
SMILES [?]:
CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4(C)O)C
InChi [?]:
InChI=1/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-15,17,23H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,9,10,4,18,3,19,7,15,8,5,11,17,13,12,2,16,20,6,14,22/rA:23cCCCCCOCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s8;s9;s10;s2s11;s12;d13;s13;s15;s11s16;s17;s18;s16s19;s20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:7
ZAP Information [?]
Total:7.95944
Area:464.706
Solvation:-3.65821
Coulombic:-31.4387
Bond Count [?]
All:26
Single:24
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:318.45
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):3.39

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Descriptor Annotations

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