(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid
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![(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/172f051f540e429e9a13989d07b3e0d9.png "(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid")
(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid
structure -
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CAS No:
178970-49-5
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Formula:
C26H38O8
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Chemical Name:
(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid
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Synonyms:
1,4-Methano-s-indacene-3a(1H)-carboxylic acid,8a-[[(6-deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-,(1R,3aR,4S,4aR,7R,7aR,8aS)-;1,4-Methano-s-indacene-3a(1H)-carboxylic acid,8a-[[(6-deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-,[1R-(1α,3aβ,4β,4aβ,7β,7aα,8aβ)]-;(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid;4′-Demethylsordarin;4′-O-Demethylsordarin;4-O-Demethylsordarin
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CAS No:
Description
4'-O-demethylsordarin is a tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-beta-D-altropyranosyl group. It has a role as a fungal metabolite. It is a tetracyclic diterpenoid, a monosaccharide derivative, a glycoside, an aldehyde, a bridged compound and a 3-oxo monocarboxylic acid. It is a conjugate acid of a 4'-O-demethylsordarin(1-).
(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-[[(6-Deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid Basic Attributes
478.6 g/mol
478.58
Computed Properties
Molecular Weight:478.6
XLogP3:1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:478.25666817
Monoisotopic Mass:478.25666817
Topological Polar Surface Area:134
Heavy Atom Count:34
Complexity:901
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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