8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
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![8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/97465d9648a343dcad12b65f07aeea28.png "8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid")
8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
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CAS No:
179233-83-1
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Formula:
C29H42O7
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Chemical Name:
8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
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Synonyms:
GM 211676;GM211676;GM211676A;GM 211676;179233-83-1;GM-211676;DTXSID10939195;1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-(((2,3-anhydro-6-deoxy-4-O-propyl-beta-D-mannopyranosyl)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-[[(2,3-anhydro-6-deoxy-4-O-propyl-.beta.-D-mannopyranosyl)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)-;8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid;formyl-isopropyl-methyl-[[(1S,2R,3R,5R,6S)-3-methyl-2-propoxy-4,7-dioxabicyclo[4.1.0]heptan-5-yl]oxymethyl][?]carboxylic acid
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CAS No:
8a-{[(2,3-Anhydro-6-deoxy-4-O-propylhexopyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid Basic Attributes
502.6 g/mol
502.29305367 g/mol
Computed Properties
Molecular Weight:502.6
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:502.29305367
Monoisotopic Mass:502.29305367
Topological Polar Surface Area:94.6
Heavy Atom Count:36
Complexity:961
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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