(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone
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![(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/14ea9cfbb2cc47a2b3819a781f075aac.png "(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone")
(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone
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CAS No:
85269-23-4
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Formula:
C21H36O5
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Chemical Name:
(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone
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Synonyms:
1(2H)-Naphthalenone,octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-,(2S,3R,4R,4aS,5R,7R,8aS)-;1(2H)-Naphthalenone,octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-(1-methylpropyl)-,[2S-[2α,3β(S*),4β,4aβ,5β,7α,8aα]]-;(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone;Betaenone B
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CAS No:
(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone Basic Attributes
368.5 g/mol
368.51
C9873620HS
376691
DTXSID40234463
Computed Properties
Molecular Weight:368.5
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:368.25627424
Monoisotopic Mass:368.25627424
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:575
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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