(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid
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(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid
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CAS No:
41060-01-9
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Formula:
C18H28O4
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Chemical Name:
(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid
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Synonyms:
2-Naphthalenecarboxylic acid,1,2,4a,5,6,7,8,8a-octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-,(1S,2R,4aS,6R,8S,8aR)-;2-Naphthalenecarboxylic acid,1,2,4a,5,6,7,8,8a-octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-,[1S-(1α,2α,4aβ,6α,8α,8aα)]-;(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid;Diplodiatoxin;(+)-Diplodiatoxin
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CAS No:
(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid Basic Attributes
308.4 g/mol
308.41
Computed Properties
Molecular Weight:308.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:308.19875937
Monoisotopic Mass:308.19875937
Topological Polar Surface Area:74.6
Heavy Atom Count:22
Complexity:495
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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