2-[(1R,3aS,3bS,5R,9aS,9bR,10S,11aS)-1-(acetyloxy)-8-bromo-5,9b-difluoro-10-hydroxy-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 | C25H29BrF2O7 | CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O | 57781-14-3, ACM57781143, CSC102596712 | Chemspace

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Home Chemical search Search Results CSCS00102596712

Structure Info

Chemspace ID: CSCS00102596712 (Synthesis)

IUPAC Name: 2-[(1R,3aS,3bS,5R,9aS,9bR,10S,11aS)-1-(acetyloxy)-8-bromo-5,9b-difluoro-10-hydroxy-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: C₂₅H₂₉BrF₂O₇

Mol weight: 559 Da

Catalog Number(s): 57781-14-3, ACM57781143, CSC102596712

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Properties
SDS

Properties

LogP: 2.41

Heavy atoms count: 35

Rotatable bond count: 6

Number of rings: 4

Carbon bond saturation, Fsp3: 0.68

Polar surface area (Å): 107

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 1

: Zoom the structure; CSCS00102596712

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Description: CAS: 57781-14-3
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Description: CAS: 57781-14-3

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