(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol
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![(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3fe750178eb9497bb742d45cdb5fa882.png "(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol")
(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol
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CAS No:
205251-96-3
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Formula:
C30H53BrO7
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Chemical Name:
(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol
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Synonyms:
aurilol;Aurilol;205251-96-3;2,3,6-Heptanetriol, 6-(5'-(7-bromooctahydro-2,6,6,9a-tetramethyl-2H-pyrano(3,2-b)oxepin-2-yl)octahydro-2-methyl(2,2'-bifuran)-5-yl)-2-methyl-, (2R-(2alpha(5(3R*),4aalpha,7beta,9abeta))-(partial)-
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CAS No:
(3R,6R)-6-[5-[5-[(2R,4aS,7R,9aR)-7-bromo-2,6,6,9a-tetramethyl-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol Basic Attributes
605.6 g/mol
604.29747 g/mol
Computed Properties
Molecular Weight:605.6
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:604.29747
Monoisotopic Mass:604.29747
Topological Polar Surface Area:97.6
Heavy Atom Count:38
Complexity:853
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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