Mespirenone

S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate

CAS: 87952-98-5

Molecular Formula	`C25H30O4S`
Molecular Weight	426.6 g/mol
LogP	3.9
Topological Polar Surface Area	85.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	426.1865
Heavy Atoms	30
Complexity	935.0

Chemical Identifiers

CAS Number	87952-98-5
SMILES	`CC(=O)SC1CC2=CC(=O)C=CC2(C3C1C4C5CC5C6(C4(CC3)C)CCC(=O)O6)C`
InChIKey	`CPHJTSJQUQZOLJ-ISIDMKFXSA-N`

📖 Product Overview

Mespirenone (CAS: 87952-98-5) is a chemical compound with molecular formula C25H30O4S and molecular weight 426.6 g/mol. Its IUPAC systematic name is S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate. LogP 3.9 Topological Polar Surface Area 85.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 426.1865 Heavy Atoms 30 Complexity 935.0 InChI Key: CPHJTSJQUQZOLJ-ISIDMKFXSA-N. SMILES: CC(=O)SC1CC2=CC(=O)C=CC2(C3C1C4C5CC5C6(C4(CC3)C)CCC(=O)O6)C.

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