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Home > Encyclopedia > (3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one

(3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one

(3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one structure

(3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one 

structure
  • CAS No:

    25941-24-6

  • Formula:

    C15H20O4

  • Chemical Name:

    (3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one

  • Synonyms:

    Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,7a,9a-octahydro-5,7-dihydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-;Guaia-9,11(13)-dien-12-oic acid,2α,4,8α-trihydroxy-,γ-lactone;Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,7a,9a-octahydro-5,7-dihydroxy-5,8-dimethyl-3-methylene-,[3aR-(3aα,4aα,5α,7α,7aβ,9aα)]-;(3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one;Pleniradin;NSC 219897

(3aR,4aR,5R,7S,7aS,9aR)-3a,4,4a,5,6,7,7a,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one Basic Attributes

264.3169

264.32

219897

Characteristics

66.8

0.7

1.26±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:264.32
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:66.8
Heavy Atom Count:19
Complexity:481
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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