(6S,6aR,9R,10aR)-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6-methyl-6H-dibenzo(b,d)pyran-6-propanol

Base Information

• Chemical Name: (6S,6aR,9R,10aR)-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6-methyl-6H-dibenzo(b,d)pyran-6-propanol
• CAS No.: 164228-46-0
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.644
• UNII: 52KD6XK4KF
• DSSTox Substance ID: DTXSID001027479
• Nikkaji Number: J661.301B
• Wikipedia: AM-919
• Wikidata: Q4652507
• ChEMBL ID: CHEMBL121118

Synonyms:52KD6XK4KF;AM-919;UNII-52KD6XK4KF;CHEMBL121118;(6S,6aR,9R,10aR)-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6-methyl-6H-dibenzo(b,d)pyran-6-propanol;164228-46-0;6H-Dibenzo(b,d)pyran-6-propanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6-methyl-, (6S,6aR,9R,10aR)-;DTXSID001027479;BDBM50066709;Q4652507;(6S)-6abeta,7,8,9,10,10aalpha-Hexahydro-3-(1,1-dimethylheptyl)-6beta-(3-hydroxypropyl)-6-methyl-9beta-(hydroxymethyl)-6H-dibenzo[b,d]pyran-1-ol;(6S,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6-(3-hydroxy-propyl)-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol

Chemical Property of (6S,6aR,9R,10aR)-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-9-(hydroxymethyl)-6-methyl-6H-dibenzo(b,d)pyran-6-propanol

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 432.32395988
• Heavy Atom Count: 31
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)CCCO)CO)O
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3[C@](OC2=C1)(C)CCCO)CO)O

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