(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
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![(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b02cfceda2cd4c7fbc07ff5df0c2f94d.png "(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one")
(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
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CAS No:
67191-86-0
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Formula:
C28H40O7
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Chemical Name:
(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
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Synonyms:
Dihydro-daturalactone;67191-86-0;Ergost-24-en-26-oic acid, 6,7-epoxy-1-oxo-5,12,17,22-tetrahydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-;DTXSID80986217;5,12,17-Trihydroxy-6,7:22,26-diepoxyergost-24-ene-1,26-dione
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CAS No:
(1S,2S,4S,5R,10R,11S,13S,14R,15S,18S)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,15-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one Basic Attributes
488.6 g/mol
488.27740361 g/mol
Computed Properties
Molecular Weight:488.6
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:488.27740361
Monoisotopic Mass:488.27740361
Topological Polar Surface Area:117
Heavy Atom Count:35
Complexity:1020
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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