 Home > Encyclopedia > (5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one

(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one

(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one structure

CAS No:
172854-78-3
Formula:
C30H48O4
Chemical Name:
(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one
Synonyms:
sodwanone H;Sodwanone H;172854-78-3;CHEMBL451996;SCHEMBL8811326;DTXSID50938223;(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one;2,2,5aalpha,7alpha-Tetramethyl-6alpha-[2-[(2,5,5,8abeta-tetramethyl-3-oxo-6alpha-hydroxy-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalen)-1-yl]ethyl]-4,5,5a,6,7,8,9,9abeta-octahydro-1-benzoxepin-3(2H)-one;6-[2-(6-Hydroxy-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]-2,2,5a,7-tetramethyloctahydro-1-benzoxepin-3(2H)-one

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(5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one Basic Attributes

Molecular Weight：

472.7 g/mol

Exact Mass：

472.35526001 g/mol

Characteristics

PSA：

63.6 Å²

Drug Information

MeSH Entry Terms：

sodwanone H

Computed Properties

Molecular Weight:472.7
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:472.35526001
Monoisotopic Mass:472.35526001
Topological Polar Surface Area:63.6
Heavy Atom Count:34
Complexity:882
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: barium hydroxide; 1 bromopropane; sodium sulfide compound; benzoic acid msds; hydrogen sulphide formula; sulfur trioxide compound

Guide of (5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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