Chemical ID: 3966564

CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)O
Chemical ID:
3966564
Name [?]:
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
SMILES [?]:
CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)O
InChi [?]:
InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,8,13,7,4,3,10,16,11,9,6,5,14,15,17,18,2,21,20,19/rA:21cCCCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s5s13;s2s14;s15;s16;s2s17;s18;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:6
ZAP Information [?]
Total:7.81904
Area:448.131
Solvation:-3.38424
Coulombic:-51.9439
Bond Count [?]
All:24
Single:21
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:288.381
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):3.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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