(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-Amino-3,5-dihydroxy-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl (2S)-2-methylbutanoate

Base Information

• Chemical Name: (1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-Amino-3,5-dihydroxy-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl (2S)-2-methylbutanoate
• CAS No.: 118159-61-8
• Molecular Formula: C24H39NO5
• Molecular Weight: 421.6
• DSSTox Substance ID: DTXSID201101562

Synonyms:SCHEMBL19231391;DTXSID201101562;(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-Amino-3,5-dihydroxy-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl (2S)-2-methylbutanoate;118159-61-8

Chemical Property of (1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-Amino-3,5-dihydroxy-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl (2S)-2-methylbutanoate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 421.28282334
• Heavy Atom Count: 30
• Complexity: 658

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Useful:

• Canonical SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)N)O)O)C
• Isomeric SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)N)O)O)C

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