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nomegestrol acetate

nomegestrol acetate

CAS: 58652-20-3

Formula: C23H30O4

SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(C)=C[C@@]21[H]

IUPAC: (1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

InChI: InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20+,21-,22-,23-/m1/s1

Composition: C (74.56%), H (8.16%), O (17.27%)

Molar Mass: 370.489

Atom Count: 57

Heavy Atom Count: 27

Properties
Properties
Common Names nomegestrol acetate
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 370.214409446
Formal Charge 0
FSP3 0.7
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IIVBFTNIGYRNQY-YQLZSBIMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.18
Topological Polar Surface Area 60.44
Polarizability 40.6
Ring Count 4
Rotatable Bond Count 3

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