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Substance Name: Cucurbitacin K
RN: 6766-43-4
InChIKey: FBGLZDYMEULGSX-RLXMPKTQSA-N

Molecular Formula

  • C30-H44-O8

Molecular Weight

  • 532.6696
 
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Names and Synonyms

Results Name

  • Cucurbitacin K

Synonyms

  • Cucurbitacin K
  • NSC 112166

Systematic Name

  • 2,16-Dihydroxy-4,4,9,14-tetramethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl)estra-1,5-diene-3,11-dione

Registry Numbers

CAS Registry Number

  • 6766-43-4

System Generated Number

  • 0006766434

Structure Descriptors

InChI

1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20+,23+,27+,28-,29+,30-/m1/s1

InChIKey

FBGLZDYMEULGSX-RLXMPKTQSA-N

Smiles

C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@@](C)(C(=O)C[C@@H](C(C)(C)O)O)O)O