(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
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![(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3df6a37ad4844fd837546dd0f403b26.png "(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one")
(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
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CAS No:
129138-51-8
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Formula:
C37H66O8
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Chemical Name:
(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
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Synonyms:
bullatanocin;squamostatin C;Bullatanocin;Squamostatin C;Annonin IV;(+)-Bullatanocin;(+)-Annonin IV;129138-51-8
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CAS No:
(2S)-4-[(2R)-9-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one Basic Attributes
638.9 g/mol
638.47576906 g/mol
Computed Properties
Molecular Weight:638.9
XLogP3:8.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:25
Exact Mass:638.47576906
Monoisotopic Mass:638.47576906
Topological Polar Surface Area:126
Heavy Atom Count:45
Complexity:833
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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