(1S,2R,9aS,9bR,10S,11aS)-9b-bromo-1,2,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one | C21H27BrO6 | C[C@]12C[C@H](O)[C@@]3(Br)C(CCC4=CC(=O)C=C[C@]34C)C1C[C@@H](O)[C@]2(O)C(=O)CO | B997395, CSC159242192 | Chemspace

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Home CSCS00159242192

Structure Info

Chemspace ID: CSCS00159242192 (Synthesis)

IUPAC Name: (1S,2R,9aS,9bR,10S,11aS)-9b-bromo-1,2,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Mol formula: C₂₁H₂₇BrO₆

Mol weight: 455 Da

Catalog Number(s): B997395, CSC159242192

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INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 0.89

Heavy atoms count: 28

Rotatable bond count: 2

Number of rings: 4

Carbon bond saturation, Fsp3: 0.714

Polar surface area (Å): 115

Hydrogen bond acceptors count: 6

Hydrogen bond donors count: 4

: Zoom the structure; CSCS00159242192

Items Overall 1 item from 1 supplier

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Toronto Research Chemicals	50 days	Canada To:	90	100 mg	8,896	Go to cart Enquire
Description: (11beta,16alpha)-9-bromo-11,16,17-trihydroxy-pregna-1,4-diene-3,20-dione

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