CC(CCC(C(C)(C)O)O)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC5CCCOC5)C)C
Name: (3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-(oxan-3-yloxy)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
SMILES: CC(CCC(C(C)(C)O)O)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC5CCCOC5)C)C

Molecular Processing

Molecular formula
C32H52O4
Molecular weight
500.76
Exact mass
500.3866
XLogP
6.6
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
144.59

Supplementary Information

InChIKey: ZBPCDUILARUFIQ-PXQBWATHSA-N
Synonyme
SCHEMBL11172670ZBPCDUILARUFIQ-PXQBWATHSA-N(24R)-5,7-cholestadiene-3beta,24,25-triol 3-tetrahydropyranyl ether
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