Dihydrotomatidine

Base Information

• Chemical Name: Dihydrotomatidine
• CAS No.: 1667-29-4
• Molecular Formula: C₂₇H₄₇NO₂
• Molecular Weight: 417.676
• UNII: 5J75QZ9F4H
• Mol file: 1667-29-4.mol

Synonyms:Dihydrotomatidine A;Dihydrotomatidine;Tomatidine A, dihydro-;5J75QZ9F4H;1667-29-4;(3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-Dimethyl-17-((1S)-1-((2S,5S)-5-methylpiperidin-2-yl)ethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthrene-3,16-diol;UNII-5J75QZ9F4H;16,28-Secosolanidane-3,16-diol, (3beta,5alpha,16beta,22alpha)-;16,28-SECOSOLANIDANE-3,16-DIOL, (3.BETA.,5.ALPHA.,16.BETA.,22.ALPHA.)-;5alpha-Pregnane-3beta,16beta-diol, 20alpha-((2S,5S)-5-methyl-2-piperidyl)-;Pregnane-3,16-diol, 20-((2S,5S)-5-methyl-2-piperidinyl)-, (3beta,5alpha,16beta,20S)-;5.ALPHA.-PREGNANE-3.BETA.,16.BETA.-DIOL, 20.ALPHA.-((2S,5S)-5-METHYL-2-PIPERIDYL)-;PREGNANE-3,16-DIOL, 20-((2S,5S)-5-METHYL-2-PIPERIDINYL)-, (3.BETA.,5.ALPHA.,16.BETA.,20S)-

Chemical Property of Dihydrotomatidine

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 417.360679742
• Heavy Atom Count: 30
• Complexity: 638

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)O
• Isomeric SMILES: C[C@H]1CC[C@H](NC1)[C@@H](C)[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O