Deacetylnimbin
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Deacetylnimbin
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CAS No:
18609-16-0
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Formula:
C28H34O8
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Chemical Name:
Deacetylnimbin
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Synonyms:
2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5-hydroxy-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester,(2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-;2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid,6β-carboxy-2α-(3-furyl)-3,3aβ,4aβ,5,5aα,6,9,9a,10,10a-decahydro-5α-hydroxy-1,6,9aβ,10aβ-tetramethyl-9-oxo-,dimethyl ester;18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid,7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-,dimethyl ester,(4α,5α,6α,7α,15β,17α)-;Nimbic acid,dimethyl ester;Deacetylnimbin;6-Deacetylnimbin;Desacetylnimbin;(+)-Desacetylnimbin;6-Desacetylnimbin;108044-13-9
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CAS No:
Description
White SolidChEBI: A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica.
Characteristics
112
3.18
1.3±0.1 g/cm3
190-195 °C
603.6±55.0 °C at 760 mmHg
318.8±31.5 °C
1.582
-20°C Freezer
Computed Properties
Molecular Weight:498.6
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:498.22536804
Monoisotopic Mass:498.22536804
Topological Polar Surface Area:112
Heavy Atom Count:36
Complexity:1050
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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