2-[(1R,3aS,3bS,9aS,11aS)-9b-bromo-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate | C23H31BrO6 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(Br)C(O)C[C@]12C | 466631, 50733-54-5, CSC102623127 | Chemspace

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Home Chemical search Search Results CSCS00102623127

Structure Info

Chemspace ID: CSCS00102623127 (Synthesis)

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

Mol formula: C₂₃H₃₁BrO₆

Mol weight: 483 Da

Catalog Number(s): 466631, 50733-54-5, CSC102623127

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Properties
SDS

Properties

LogP: 2.41

Heavy atoms count: 30

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.782

Polar surface area (Å): 101

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 2

: Zoom the structure; CSCS00102623127

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Description: CAS: 50733-54-5

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