(1R,2S,3aS,3bS,5R,9aS,9bR,10R,11aS)-5-bromo-9b-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate | C27H36BrFO6 | CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C)C(=O)CO | B327115, CSC102513318 | Chemspace

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Home CSCS00102513318

Structure Info

Chemspace ID: CSCS00102513318 (Synthesis)

IUPAC Name: (1R,2S,3aS,3bS,5R,9aS,9bR,10R,11aS)-5-bromo-9b-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate

Mol formula: C₂₇H₃₆BrFO₆

Mol weight: 555 Da

Catalog Number(s): B327115, CSC102513318

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Properties
SDS

Properties

LogP: 4.02

Heavy atoms count: 35

Rotatable bond count: 7

Number of rings: 4

Carbon bond saturation, Fsp3: 0.74

Polar surface area (Å): 101

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 2

: Zoom the structure; CSCS00102513318

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