4-[(1R,3aS,3bS,9aS,11aS)-9b-bromo-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-4-oxobutanoate | C24H30BrO7 | CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(Br)C(O)C[C@]2(C)[C@@]1(O)C(=O)C(O)CC([O-])=O | BB071082 | Chemspace

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Home CSCS14813033763

Structure Info

Chemspace ID: CSCS14813033763 (Synthesis)

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

Mol formula: C₂₄H₃₀BrO₇

Mol weight: 510 Da

Catalog Number(s): BB071082

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INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 2.26

Heavy atoms count: 32

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.708

Polar surface area (Å): 135

Hydrogen bond acceptors count: 7

Hydrogen bond donors count: 3

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Description: CAS: 4735-65-3

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