2-[(1R,3aS,3bS,5R,9aR,11aS)-8-bromo-5-fluoro-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate | C23H26BrFO5 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C | ACM60864666, CSC102596718, FB100718, JH368603 | Chemspace

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Home CSCS00102596718

Structure Info

Chemspace ID: CSCS00102596718 (Synthesis)

IUPAC Name: 2-[(1R,3aS,3bS,5R,9aR,11aS)-8-bromo-5-fluoro-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

Mol formula: C₂₃H₂₆BrFO₅

Mol weight: 481 Da

Catalog Number(s): ACM60864666, CSC102596718, FB100718, JH368603

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Properties
SDS

Properties

LogP: 2.83

Heavy atoms count: 30

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.608

Polar surface area (Å): 81

Hydrogen bond acceptors count: 4

Hydrogen bond donors count: 1

: Zoom the structure; CSCS00102596718

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Description: CAS: 60864-66-6

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