9,13,17,17-tetramethyl-4,12-dioxapentacyclo[11.7.1.01,16.05,21.06,11]henicosa-6,8,10-trien-7-ol
C₂₃H₃₂O₃·356.500 g/mol·CID 5211
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
356.500g/mol
Exact Mass
356.235145Da
Monoisotopic Mass
356.235145Da
XLogP
5.4
Polar Surface Area
38.7Ų
Complexity
574
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
26
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 356.5 g/mol
MW ≤ 500
✗ 5.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C23H32O3/c1-14-12-15(24)18-16(13-14)26-22(4)9-6-17-21(2,3)7-5-8-23(17)10-11-25-19(18)20(22)23/h12-13,17,19-20,24H,5-11H2,1-4H3
Isomers8 compounds with formula C₂₃H₃₂O₃
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
CID 13791 · 356.5 g/mol
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 92855 · 356.5 g/mol
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] acetate
CID 198013 · 356.5 g/mol
4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 131752742 · 356.5 g/mol
2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 10405997 · 356.5 g/mol
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] acetate
CID 14589394 · 356.5 g/mol
3-butyl-7-(1-butylcyclohexyl)-5-hydroxychromen-2-one
CID 155773719 · 356.5 g/mol
4,6-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CID 5317379 · 356.5 g/mol