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Substance Name: Agrimol B
RN: 55576-66-4
InChIKey: BVLHMPZMQVWDGX-INIZCTEOSA-N

Note

  • From the root sprouts of Agrimonia Pilosa Ledeb.

Molecular Weight

  • 682.758
 
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Names and Synonyms

Name of Substance

  • Agrimol B

Systematic Name

  • 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)-

Registry Numbers

CAS Registry Number

  • 55576-66-4

System Generated Number

  • 0055576664

Structure Descriptors

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/t16-/m0/s1

InChIKey

BVLHMPZMQVWDGX-INIZCTEOSA-N

Smiles

C([C@H](CC)C)(=O)c1c(c(c(c(c1O)Cc1c(c(c(c(c1O)C(CCC)=O)OC)C)O)O)Cc1c(c(c(c(c1O)C(CCC)=O)OC)C)O)O