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Home > Encyclopedia > (1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one

(1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one

(1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one structure

(1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one 

structure
  • CAS No:

    71386-38-4

  • Formula:

    C20H24O2

  • Chemical Name:

    (1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one

  • Synonyms:

    jatropholone B;Jatropholone-B;CHEMBL1087305;ZINC31759241;N2017

(1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one Basic Attributes

296.4 g/mol

296.177643

287970

Characteristics

37.30000

6.51

1.2±0.1 g/cm3

482.1±45.0 °C at 760 mmHg

204.7±21.3 °C

1.602

Drug Information

jatropholone B

Computed Properties

Molecular Weight:296.4
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:296.177630004
Monoisotopic Mass:296.177630004
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:534
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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