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Substance Name: Caesalpin J
RN: 99217-67-1
InChIKey: GUHDLXNWTKIBDJ-UHFFFAOYSA-N

Note

  • From sappan lignum which has been used as oriental crude drug.

Molecular Formula

  • C17-H16-O6

Molecular Weight

  • 316.307
 
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Names and Synonyms

Name of Substance

  • Caesalpin J

Systematic Name

  • 6H-7,12b-Methano-3H-dibenz(b,d)oxocin-3-one, 7,8-dihydro-7,10-11-trihydroxy-13-methoxy-, (7R-(talpha,12bbeta,13R*))-

Registry Numbers

CAS Registry Number

  • 99217-67-1

System Generated Number

  • 0099217671

Structure Descriptors

InChI

1S/C17H16O6/c1-22-15-16(21)7-9-4-12(19)13(20)6-11(9)17(15)3-2-10(18)5-14(17)23-8-16/h2-6,15,19-21H,7-8H2,1H3

InChIKey

GUHDLXNWTKIBDJ-UHFFFAOYSA-N

Smiles

O1C=2[C@@]3(c4c(C[C@@](C1)([C@@H]3OC)O)cc(O)c(O)c4)C=CC(C2)=O