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Substance Name: Marrubiin
RN: 465-92-9
UNII: AP086P88M4
InChIKey: HQLLRHCTVDVUJB-OBHOOXMTSA-N

Molecular Formula

  • C20-H28-O4

Molecular Weight

  • 332.437
 
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Names and Synonyms

Name of Substance

  • Marrubiin

Synonyms

  • NSC 36693
  • UNII-AP086P88M4

Systematic Name

  • 2H-Naphtho(1,8-bc)furan-2-one, 6-(2-(3-furanyl)ethyl)decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS-(2aalpha,5abeta,6alpha,7alpha,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 465-92-9

FDA UNII

  • AP086P88M4

System Generated Number

  • 0000465929

Structure Descriptors

InChI

1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1

InChIKey

HQLLRHCTVDVUJB-OBHOOXMTSA-N

Smiles

C1([C@@]2([C@@H]3[C@H](O1)C[C@H]([C@@]([C@@]3(CCC2)C)(CCc1cocc1)O)C)C)=O