CC1CC2C3CCC(C3(CC=C2C4(C1=CC(=O)C=C4)C)C)(C(=O)COC(=O)C)O
Name: [2-[(6S,10R,13S)-17-hydroxy-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SMILES: CC1CC2C3CCC(C3(CC=C2C4(C1=CC(=O)C=C4)C)C)(C(=O)COC(=O)C)O

Molecular Processing

Molecular formula
C24H30O5
Molecular weight
398.5
Exact mass
398.2093
XLogP
3.32
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
107.73

Supplementary Information

InChIKey: SGOCZEFVBBHDQY-KUGHPEDNSA-N
Synonyme
SCHEMBL2122371SGOCZEFVBBHDQY-KUGHPEDNSA-N2-((6s,10r,13s)-17-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3h-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
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