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Substance Name: Castelanone
RN: 70424-54-3
InChIKey: XYGCQTNZODZWCL-QVUDBRIDSA-N

Note

  • Quassinoid which inhibits protein synthesis & DNA synthesis in cells.

Molecular Weight

  • 478.535
 
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Names and Synonyms

Name of Substance

  • Castelanone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70424-54-3

System Generated Number

  • 0070424543

Structure Descriptors

InChI

1S/C25H34O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)25(31)22-23(5)13(11(3)7-14(26)20(23)29)8-15(33-21(18)30)24(17,22)9-32-25/h7,10,12-13,15,17-20,22,28-29,31H,6,8-9H2,1-5H3/t12-,13+,15-,17-,18-,19-,20-,22-,23-,24?,25-/m1/s1

InChIKey

XYGCQTNZODZWCL-QVUDBRIDSA-N

Smiles

C1(C=C([C@H]2[C@@](C)([C@@H]1O)[C@@H]1[C@@]34[C@@H](OC(=O)[C@@H](OC(=O)CC(C)C)[C@H]3[C@@H](C)[C@H](O)[C@]1(O)OC4)C2)C)=O