(6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
• CAS No.: 110664-42-1
• Molecular Formula: C₂₂H₂₈O₃
• Molecular Weight: 340.463
• Nikkaji Number: J2.778.812B
• Mol file: 110664-42-1.mol

Synonyms:110664-42-1;SCHEMBL3394762;BCP23628;6alpha-Methyl-17-hydroxypregna-1,4,9(11)-triene-3,20-dione;(6(c) paragraph sign)-17-Hydroxy-6-methylpregna-1,4,9(11)-triene-3,20-dione;17(c) paragraph sign-hydroxy-6(c) paragraph sign-methyl-1,4,9(11)-pregnatriene-3,20-dione

Chemical Property of (6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 340.20384475
• Heavy Atom Count: 25
• Complexity: 757

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC=C2C4(C1=CC(=O)C=C4)C)C)(C(=O)C)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)O