2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
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![2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45ccee590d3147b4962dd55b71b0c118.png "2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid")
2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
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CAS No:
52934-85-7
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Formula:
C16H16O7
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Chemical Name:
2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
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Synonyms:
nanaomycin B;Nanaomycin B;BRN 1440473;Antibiotic OS 3966B;52934-85-7;OS-3966-B;5-18-09-00351 (Beilstein Handbook Reference);DTXSID80967405;1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S-(1-alpha,3-beta,4a-alpha,10a-beta))-;2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid;(9,10a-Dihydroxy-1-methyl-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-1H-naphtho[2,3-c]pyran-3-yl)acetic acid
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CAS No:
2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid Basic Attributes
320.29 g/mol
320.08960285 g/mol
Computed Properties
Molecular Weight:320.29
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:320.08960285
Monoisotopic Mass:320.08960285
Topological Polar Surface Area:121
Heavy Atom Count:23
Complexity:545
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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