(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
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![(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/74de7527107948a8b064da74f55154c2.png "(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one")
(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
structure -
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CAS No:
126149-71-1
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Formula:
C22H34O7
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Chemical Name:
(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
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Synonyms:
javanicin C;Javanicin C;126149-71-1;(1S,2R,3S,3aR,3a1R,5S,6aR,7aR,11aS,11bS)-1,3-dihydroxy-2,5,10-trimethoxy-3,3a1,11a-trimethyl-2,3,3a,3a1,4,5,6a,7,7a,8,11a,11b-dodecahydrodibenzo[de,g]chromen-11(1H)-one;DTXSID60925427;18-Norpicras-2-en-1-one, 11,13-dihydroxy-2,12,16-trimethoxy-, (11alpha,12beta,16beta)-;1,3-Dihydroxy-2,5,10-trimethoxy-3,11a,11c-trimethyl-2,3,3a,4,5,6a,7,7a,8,11a,11b,11c-dodecahydrophenanthro[10,1-bc]pyran-11(1H)-one
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CAS No:
(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one Basic Attributes
410.5 g/mol
410.23045342 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:410.23045342
Monoisotopic Mass:410.23045342
Topological Polar Surface Area:94.4
Heavy Atom Count:29
Complexity:722
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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