
 CHEMBL3329940

 66 69  0  0  0  0  0  0  0  0999 V2000
    0.9045   -0.1630    0.0105 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3329940

>  <PubChem CID>
5284305

>  <Formula>
C23H40O3

>  <Molecular Weight>
364.570000

>  <IUPAC Name>
(3R,5S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CCO)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

>  <Isomeric SMILES>
C[C@H](CCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

>  <InChI Std. ID>
InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,21+,22+,23-/m1/s1

>  <InChI Key>
AQLBTYPFUGRFQI-KHLWDBHXSA-N

