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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178528126Generated: November 3, 2026

2-bromo-1-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone

1P-LSD · 1P-ETH-LAD · 1-propionyl-LSD · 1-propionyl-lysergic acid diethylamide · 3,17α-Dihydroxy-17β-bromacetyl-oestratrien-(1,3,5(10)) · 19-Norpregna-1,3,5(10)-trien-20-one, 21-bromo-3,17-dihydroxy- (6CI,7CI)

https://huagongshe.com/en/chemical/178528126

2-bromo-1-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone molecular structure

Identifiers & Physical Properties

CAS No.100001-00-1
Molecular formulaC20H25BrO3
Average molar mass393.3 g/mol
SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@]2(O)C(=O)CBr
InChIKeyYEZLFDFWWGELQA-JOMPHRNESA-N

Chemical & Physical Properties

XLogP4.1
Topological polar surface area57.5
Hydrogen bond donors2
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms24
Formal charge0
Complexity523
Boiling point544.3±50.0 °C(Predicted)
Density1.427±0.06 g/cm3(Predicted)
pKa (acidity coefficient)10.23±0.60(Predicted)
FDA UNII23R2G2G79C