(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 | CAS No. 71386-38-4

(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 Information

CAS Number

71386-38-4

Molecular Formula

C20H24O2

Molecular Weight

296.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.17±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.1E-4 g/L) (25 ºC),

CC1CC2=C(C(=C3C4C(C4(C)C)CCC(=C)C3=C2C1=O)C)O

InChI

InChI=1S/C20H24O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10,13,17,22H,1,6-8H2,2-5H3

InChIKey

BMHPRIPRPDSKRK-UHFFFAOYSA-N

LogP

4.622120000000004

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

534

Synonyms & References

English

  • 71386-38-4
  • WCA38638
  • CHEMBL1087305
  • (4R,10S,12R)-7-Hydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trien-3-one
  • jatropholone B
  • Jatropholone-B
  • Jatropholone B

MDL Number

MFCD29917919

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