(4aR,4bS,6aS,6bS,7S,10aR,11aS,11bR)-6b-acetyl-4a,6a,7-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one

Base Information

• Chemical Name: (4aR,4bS,6aS,6bS,7S,10aR,11aS,11bR)-6b-acetyl-4a,6a,7-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
• CAS No.: 116169-22-3
• Molecular Formula: C26H38 O2
• Molecular Weight: 382.58
• DSSTox Substance ID: DTXSID60921949
• Nikkaji Number: J423.298D
• Mol file: 116169-22-3.mol

Synonyms:2'-MCHP;2'-methyl-16,17-cyclohexaneprogesterone;2'-methyl-16,17-cyclohexanoprogesterone

Chemical Property of (4aR,4bS,6aS,6bS,7S,10aR,11aS,11bR)-6b-acetyl-4a,6a,7-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one

Chemical Property:

• PSA: 34.14000
• LogP: 6.13980
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 382.287180451
• Heavy Atom Count: 28
• Complexity: 750

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC2C1(C3(CCC4C(C3C2)CCC5=CC(=O)CCC45C)C)C(=O)C
• Isomeric SMILES: C[C@H]1CCC[C@H]2[C@@]1([C@]3(CC[C@H]4[C@H]([C@@H]3C2)CCC5=CC(=O)CC[C@]45C)C)C(=O)C