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(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one
(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one
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![(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6d13ee1c0972428f9087784b5efeefdb.png "(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one")
(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one
structure -
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CAS No:
90746-99-9
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Formula:
C22H36O6
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Chemical Name:
(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one
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Synonyms:
Tomexanthin
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CAS No:
(3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one Basic Attributes
396.51764
396.251
Computed Properties
Molecular Weight:396.5
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:396.25118886
Monoisotopic Mass:396.25118886
Topological Polar Surface Area:93.1
Heavy Atom Count:28
Complexity:592
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (3E,6R)-9-[(2S)-6-[(E)-2-(Acetyloxy)ethylidene]-3α-hydroxy-2α-methyloxepan-2β-yl]-2-hydroxy-2,6-dimethyl-3-nonen-5-one
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