COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564825
Chemical Name: ((1R,3aS,5aR,5bR,9S,11aR,13bS)-9-acetoxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methylacetate
Smiles: CC(=O)OC[C@@]12CC[C@H]([C@H]2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C(=C)C

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Molecular Weight: 526.8
Empirical Formula: C34H54O4

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 10.803
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 5

     

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