Chemical ID: 4949779

CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C)O)C
Chemical ID:
4949779
Name [?]:
17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C)O)C
InChi [?]:
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,9,10,4,13,17,3,14,18,7,8,5,11,12,16,2,15,19,6,21/rA:22cCCCCCOCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s10;s2s11;d12;s13;s14;s11s15;s16;s17;s15s18;s19;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:5
ZAP Information [?]
Total:8.5978
Area:453.922
Solvation:-2.75024
Coulombic:-26.283
Bond Count [?]
All:25
Single:22
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:300.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.56
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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