(1R,2R,3aS,3bS,9aS,10S,11aS)-1,9b-dibromo-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one | C22H28Br2O4 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO | 61339-42-2, ACM61339422, CSC102622885, JH374189 | Chemspace

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Home CSCS00102622885

Structure Info

Chemspace ID: CSCS00102622885 (Synthesis)

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

Mol formula: C₂₂H₂₈Br₂O₄

Mol weight: 516 Da

Catalog Number(s): 61339-42-2, ACM61339422, CSC102622885, JH374189

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Properties
SDS

Properties

LogP: 3.87

Heavy atoms count: 28

Rotatable bond count: 2

Number of rings: 4

Carbon bond saturation, Fsp3: 0.727

Polar surface area (Å): 75

Hydrogen bond acceptors count: 4

Hydrogen bond donors count: 2

: Zoom the structure; CSCS00102622885

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Description: CAS: 61339-42-2
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Description: CAS: 61339-42-2

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