 Home > Encyclopedia > [(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate

[(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate

[(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate structure

CAS No:
123003-47-4
Formula:
C29H44O8
Chemical Name:
[(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate
Synonyms:
baconipyrone C;123003-47-4;DTXSID30924341;4,6-Dimethyl-3,7-dioxononan-5-yl 6-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate

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[(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate Basic Attributes

Molecular Weight：

520.7 g/mol

Exact Mass：

520.30361836 g/mol

Characteristics

PSA：

124 Å²

Drug Information

MeSH Entry Terms：

baconipyrone C

Computed Properties

Molecular Weight:520.7
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:520.30361836
Monoisotopic Mass:520.30361836
Topological Polar Surface Area:124
Heavy Atom Count:37
Complexity:962
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(4S,6S)-4,6-dimethyl-3,7-dioxononan-5-yl] 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxohexanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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