(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
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![(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/79cc50d27e584743b8f051af41bb5f7a.png "(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one")
(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
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CAS No:
79236-44-5
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Formula:
C21H32O9
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Chemical Name:
(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
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Synonyms:
79236-44-5;11-Carolenalin-4-O-beta-D-glucoside;DTXSID101000355;Azuleno(6,5-b)furan-2(3H)-one, 5-(beta-D-glucopyranosyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-6-hydroxy-3,5,8-trimethyl-, (3S-(3alpha,3abeta,4abeta,5beta,6beta,7abeta,9abeta))-;6-Hydroxy-3,5,8-trimethyl-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-5-yl hexopyranoside
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CAS No:
(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one Basic Attributes
428.5 g/mol
428.20463259 g/mol
Computed Properties
Molecular Weight:428.5
XLogP3:-0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:428.20463259
Monoisotopic Mass:428.20463259
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:711
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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