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Substance Name: Dunnianin
RN: 116085-00-8
InChIKey: JQLDCCVJKRQUNE-ZREKMMHESA-N

Molecular Formula

  • C22-H28-O7

Molecular Weight

  • 404.456
 
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Names and Synonyms

Results Name

  • Dunnianin

Synonym

  • Dunnianin

Systematic Name

  • 1,4a-Ethano-4aH-2-benzopyran-3(4H)-one, 8-((benzoyloxy)methyl)hexahydro-6,7,8a-trihydroxy-7,8,9-trimethyl-, (1S-(1alpha,4aalpha,6beta,7alpha,8beta,8aalpha,9S*))-

Registry Numbers

CAS Registry Number

  • 116085-00-8

System Generated Number

  • 0116085008

Structure Descriptors

InChI

1S/C22H28O7/c1-13-9-21-10-15(23)20(3,26)19(2,22(21,27)17(13)29-16(24)11-21)12-28-18(25)14-7-5-4-6-8-14/h4-8,13,15,17,23,26-27H,9-12H2,1-3H3/t13-,15-,17+,19-,20+,21?,22+/m1/s1

InChIKey

JQLDCCVJKRQUNE-ZREKMMHESA-N

Smiles

C1(C[C@@]23[C@@]([C@H](O1)[C@@H](C3)C)([C@]([C@@]([C@@H](C2)O)(C)O)(C)COC(c1ccccc1)=O)O)=O