3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid
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![3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2fae6d91700946bbbd02b8093cf43381.png "3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid")
3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid
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CAS No:
55051-86-0
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Formula:
C35H56O8
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Chemical Name:
3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid
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Synonyms:
3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid;Lasalocid B
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CAS No:
3-Ethyl-6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydro-3-methylfuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxybenzoic acid Basic Attributes
604.81434
604.398
Computed Properties
Molecular Weight:604.8
XLogP3:6.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:604.39751874
Monoisotopic Mass:604.39751874
Topological Polar Surface Area:134
Heavy Atom Count:43
Complexity:926
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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