(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate
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![(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4a5899595bdb424aa11e5101b3766edd.png "(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate")
(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate
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CAS No:
41787-75-1
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Formula:
C19H23ClO7
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Chemical Name:
(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate
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Synonyms:
Propanoic acid,3-chloro-2-hydroxy-2-methyl-,(2′R,3aR,4S,6aR,8S,9aS,9bS)-decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl ester,(2S)-;Propanoic acid,3-chloro-2-hydroxy-2-methyl-,decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl ester,[3aR-[3aα,4α(S*),6aα,8β,9α,9aα,9bβ]]-;Spiro[azuleno[4,5-b]furan-9(2H),2′-oxirane],propanoic acid deriv.;(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate;Acroptilin;Chlorohyssopifolin C;11049-71-1;11081-26-8;54278-78-3
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CAS No:
Description
Acroptilin is a sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties. It has a role as an anti-allergic agent and a plant metabolite. It is a sesquiterpene lactone, an azulenofuran, an epoxide, an olefinic compound, a tertiary alcohol, a secondary alcohol, an organochlorine compound and an organic heterotetracyclic compound.
(2′R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2′-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate Basic Attributes
398.8 g/mol
398.83
Computed Properties
Molecular Weight:398.8
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:398.1132308
Monoisotopic Mass:398.1132308
Topological Polar Surface Area:106
Heavy Atom Count:27
Complexity:736
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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