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Home > Encyclopedia > 4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol

4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol

4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol structure

4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol 

structure
  • CAS No:

    252333-72-5

  • Formula:

    C22H26O6

  • Chemical Name:

    4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol

  • Synonyms:

    1,2-Benzenediol,4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-;4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol

  • Categories:

    Natural Products  >  Lignans

4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-Hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol Basic Attributes

386.43824

386.44

Characteristics

88.38000

2.15

1.2±0.1 g/cm3

570.3±50.0 °C at 760 mmHg

298.7±30.1 °C

1.587

Computed Properties

Molecular Weight:386.4
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:386.17293854
Monoisotopic Mass:386.17293854
Topological Polar Surface Area:88.4
Heavy Atom Count:28
Complexity:539
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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