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Home > Encyclopedia > 4,5-Dihydroblumenol

4,5-Dihydroblumenol

4,5-Dihydroblumenol structure

4,5-Dihydroblumenol 

structure
  • CAS No:

    155418-97-6

  • Formula:

    C13H22O3

  • Chemical Name:

    4,5-Dihydroblumenol

  • Synonyms:

    Cyclohexanone,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimethyl-,(4S,5R)-;Cyclohexanone,4-hydroxy-4-(3-hydroxy-1-butenyl)-3,3,5-trimethyl-,[4S-[4α,4(1E,3S*),5α]]-;Cyclohexanone,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-butenyl]-3,3,5-trimethyl-,(4S,5R)-;(4S,5R)-4-Hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimethylcyclohexanone;4,5-Dihydroblumenol A;4,5-Dihydrovomifoliol;4,5-Dihydroblumenol

  • Categories:

    Natural Products  >  Sesquiterpene

4,5-Dihydroblumenol Basic Attributes

226.31200

226.31

Characteristics

57.53000

1.21

1.093±0.06 g/cm3(Predicted)

345.7±42.0 °C(Predicted)

177.1±24.4 °C

1.542

Computed Properties

Molecular Weight:226.31
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:226.15689456
Monoisotopic Mass:226.15689456
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:306
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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