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Substance Name: Ballotinone
RN: 61289-05-2
UNII: VK82Y76H2J
InChIKey: XOYLONZCXCRVKZ-XTDUBZMBSA-N

Molecular Formula

  • C20-H26-O5

Molecular Weight

  • 346.4204
 
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Names and Synonyms

Name of Substance

  • Ballotinone

Synonyms

  • 2H-Naphtho(1,8-bc)furan-2,8(2ah)-dione, 6-(2-(3-furanyl)ethyl)octahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7S,8aS,8bR)-
  • 7-Oxomarrubiin
  • Ballotinone
  • UNII-VK82Y76H2J

Registry Numbers

CAS Registry Number

  • 61289-05-2

FDA UNII

  • VK82Y76H2J

System Generated Number

  • 0061289052

Structure Descriptors

InChI

1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1

InChIKey

XOYLONZCXCRVKZ-XTDUBZMBSA-N

Smiles

C[C@@H]1C(=O)[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCc4ccoc4)O)C)(C(=O)O2)C