Chemical Compound

Marrubic acid

CAS Registry Number 564-12-5
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Marrubic acid chemical structure
Primary Record

Marrubic acid

In stock
5,876 g
Purity
99.7 %
CAS
564-12-5

Compound Identifiers & Properties

CAS
564-12-5
PubChem CID
200146
SMILES
C[C@@H]1C[C@H]([C@@H]2[C@H](CCC[C@@]2([C@]1(CCC3=COC=C3)O)C)C(=O)OC)O
Canonical SMILES
COC(=O)[C@H]1CCC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H](C)[C@]2(O)CCc1ccoc1

Names & Synonyms

  • Marrubic acid
  • Marrubinsaeure
  • Marrubinsaeure [German]
  • RefChem:1088867
  • AC1L43QJ
  • NSC 41312
  • CID200146
  • LS-94515
  • 564-12-5
  • 15,16-Dithia-5,10-diazanaphtho<2,3-a>benzo<c>anthracen
  • 6-beta,9-Dihydroxy-15,16-epoxylabda-13(16),14-dien-19-oic acid
  • Labda-13(16),14-dien-19-oic acid, 6-beta,9-dihydroxy-15,16-epoxy-
  • 1-Naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)decahydro-5,8-dihydroxy-1,4a,6-trimethyl-, (1S-(1-alpha,4a-alpha,5-beta,6-beta,8-alpha,8a-beta)-
  • (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
  • methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate