(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one
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![(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b82eaca960b84a8f9213aa7926042282.png "(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one")
(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one
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CAS No:
135293-24-2
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Formula:
C28H35ClO6
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Chemical Name:
(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one
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Synonyms:
135293-24-2;Jaborochlorodiol;DTXSID30928945;6-Chloro-12,17-dihydroxy-12,22:23,26-diepoxyergosta-2,4,24-triene-1,26-dione;Ergosta-2,4,24-trien-26-oic acid, 6-chloro-12,22-epoxy-12,17,23-trihydroxy-1-oxo-, gamma-lactone, (6alpha,12alpha,17alpha,22S,23R)-
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CAS No:
(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one Basic Attributes
503.0 g/mol
502.2122165 g/mol
Computed Properties
Molecular Weight:503.0
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:502.2122165
Monoisotopic Mass:502.2122165
Topological Polar Surface Area:93.1
Heavy Atom Count:35
Complexity:1120
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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