7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)-
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![7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e8e5f02248894dd2a160fb21375cf810.png "7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)-")
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)-
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CAS No:
13164-05-1
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Formula:
C21H24O5
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Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)-
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Synonyms:
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)-;(+)-Rutamarin
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CAS No:
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)- Basic Attributes
356.41
356.41
263654
Characteristics
61.8 Ų
1.190±0.06 g/cm3(Predicted)
107-108 °C
471.1±45.0 °C(Predicted)
0.2393 mg/L @ 25 °C (est)
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2S)- Use and Manufacturing
(+)-Rutamarin, natyrally occurs in the plants such as Boenninghausenia japonica and Ruta graveolens and has shown promising chemotherapeutic activities against human adult T-cell leukemia/lymphoma (V).
Computed Properties
Molecular Weight:356.4
XLogP3:4.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:356.16237386
Monoisotopic Mass:356.16237386
Topological Polar Surface Area:61.8
Heavy Atom Count:26
Complexity:645
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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