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Substance Name: Quassimarin
RN: 59938-97-5
InChIKey: QOXAISGIEITGJU-HGXLBWMBSA-N

Note

  • Antileukemic quassinoid from sap of Quassia amara.

Molecular Formula

  • C27-H36-O11

Molecular Weight

  • 522.5436
 
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Names and Synonyms

Name of Substance

  • Quassimarin

Systematic Name

  • Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-13,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 59938-97-5

System Generated Number

  • 0059938975

Structure Descriptors

InChI

1S/C26H34O11/c1-6-14(35-11(3)27)22(32)37-17-19-25(5)21(31)16(29)18-24(4)12(10(2)7-13(28)20(24)30)8-15(36-23(17)33)26(18,19)9-34-25/h7,12,14-21,29-31H,6,8-9H2,1-5H3/t12-,14+,15+,16+,17+,18+,19-,20+,21-,24-,25-,26+/m0/s1

InChIKey

QOXAISGIEITGJU-HGXLBWMBSA-N

Smiles

C1(=O)C=C([C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)[C@H](OC(=O)C)CC)[C@H]4[C@]5([C@H]([C@@H]([C@@H]([C@@]34CO5)[C@]2([C@@H]1O)C)O)O)C)C