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Home > Encyclopedia > [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate

[(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate

[(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate structure

[(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate 

structure
  • CAS No:

    107812-57-7

  • Formula:

    C24H30O3

  • Chemical Name:

    [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate

  • Synonyms:

    Guayulin C;

[(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate Basic Attributes

366.49300

366.21949481

Characteristics

46.53000

4.62090

1.14g/cm3

483.5ºC at 760mmHg

188.7ºC

1.58

3.68E-10mmHg at 25°C

Drug Information

guayulin C

Computed Properties

Molecular Weight:366.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:366.21949481
Monoisotopic Mass:366.21949481
Topological Polar Surface Area:46.5
Heavy Atom Count:27
Complexity:642
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate

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