(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one
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![(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/579ebc936f5a47fc8dfde050301b61bd.png "(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one")
(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one
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CAS No:
132296-71-0
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Formula:
C30H42O5
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Chemical Name:
(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one
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Synonyms:
Kadsulactone A;132296-71-0;3H,6H-Cyclopenta(5,6)cyclopropa(1,8a)naphth(2,1-c)oxepin-3-one, 9-((1S)-1-((2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl)ethyl)-1,7,8,8a,9,10,11,11a,11b,12,13,13a-dodecahydro-13-hydroxy-1,1,8a,11a-tetramethyl-, (5aS,6aS,8aR,9R,11aS,11bS,13R,13aS)-;6-O-Deacetylschisanbilactone A;3H,6H-Cyclopenta[5,6]cyclopropa[1,8a]naphth[2,1-c]oxepin-3-one, 9-[(1S)-1-[(2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,7,8,8a,9,10,11,11a,11b,12,13,13a-dodecahydro-13-hydroxy-1,1,8a,11a-tetramethyl-, (5aS,6aS,8aR,9R,11aS,11bS,13R,13aS)-;CHEMBL455083;DTXSID80927620;5-Hydroxy-3a,6,6,13a-tetramethyl-1-[1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-1,2,3,3a,3b,4,5,5a,6,12,13,13a-dodecahydro-8H,11H-cyclopenta[5,6]cyclopropa[1,8a]naphtho[2,1-c]oxepin-8-one
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CAS No:
(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one Basic Attributes
482.6 g/mol
482.30322444 g/mol
Computed Properties
Molecular Weight:482.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:482.30322444
Monoisotopic Mass:482.30322444
Topological Polar Surface Area:72.8
Heavy Atom Count:35
Complexity:1040
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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