2-[(1S,2R,3aS,3bS,5R,9aS,10S,11aS)-8-bromo-5,9b-difluoro-1,2,10-trihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate | C23H27BrF2O7 | CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)C3(F)[C@@H](O)C[C@]12C | 57781-19-8, ACM57781198, CSC102596711 | Chemspace

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Home CSCS00102596711

Structure Info

Chemspace ID: CSCS00102596711 (Synthesis)

IUPAC Name: 2-[(1S,2R,3aS,3bS,5R,9aS,10S,11aS)-8-bromo-5,9b-difluoro-1,2,10-trihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

Mol formula: C₂₃H₂₇BrF₂O₇

Mol weight: 533 Da

Catalog Number(s): 57781-19-8, ACM57781198, CSC102596711

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Properties
SDS

Properties

LogP: 0.9

Heavy atoms count: 33

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.695

Polar surface area (Å): 121

Hydrogen bond acceptors count: 6

Hydrogen bond donors count: 3

: Zoom the structure; CSCS00102596711

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Description: CAS: 57781-19-8

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