Agrimol B | CAS No. 55576-66-4

Agrimol B

Basic Information

CAS Number

55576-66-4

Molecular Formula

C37H46O12

Molecular Weight

682.75 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.292

Solubility

,Chloroform,DMSO

CCCC(=O)c1c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(c(c3O)C(=O)CCC)OC)c(c(c2O)C(=O)C(CC)C)O)c(c(c1OC)C)O

InChI

InChI=1S/C37H46O12/c1-9-12-23(38)25-32(44)19(29(41)17(5)36(25)48-7)14-21-31(43)22(35(47)27(34(21)46)28(40)16(4)11-3)15-20-30(42)18(6)37(49-8)26(33(20)45)24(39)13-10-2/h16,41-47H,9-15H2,1-8H3

InChIKey

BVLHMPZMQVWDGX-UHFFFAOYSA-N

LogP

6.635840000000011

Topological Polar Surface Area

211.27999999999997 Ų

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

1030

Safety Information

View Safety Information

Storage Conditions

-20℃

Synonyms & References

English

  • 1-Butanone,1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-,(2S)-
  • 1-Butanone,1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-tri...
  • Agrimol B
  • AGRIMOL B(P)
  • 2-DEACETYL WILFORMINE
  • (S)-(+)-Agrimol B
  • (2S)-1-[3,5-Bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone
  • N2476
  • (2R)-1-[3,5-Bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2
  • (2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
  • C37H46O12
  • Y0023
  • A14715
  • 1,1'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene]bis[methylene(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene)]}di(butan-1-one)
  • 1-Butanone, 1-(3,5-bis((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-2,4,6-trihydroxyphenyl)-2-methyl-, (S)-

MDL Number

MFCD20527284

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