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Substance Name: Ajugarin II
RN: 62640-06-6
UNII: 30Y1ZRM6UE
InChIKey: QDGFAVMJPYRERF-FYHNCAPNSA-N

Molecular Formula

  • C22-H32-O6

Molecular Weight

  • 392.4888
 
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Names and Synonyms

Name of Substance

  • Ajugarin II

Synonym

  • UNII-30Y1ZRM6UE

Systematic Name

  • 2(5H)-Furanone, 4-(2-(8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl)-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 62640-06-6

FDA UNII

  • 30Y1ZRM6UE

System Generated Number

  • 0062640066

Structure Descriptors

InChI

1S/C22H32O6/c1-14-9-18(24)22(13-27-15(2)23)17(5-4-7-21(22)12-28-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,24H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1

InChIKey

QDGFAVMJPYRERF-FYHNCAPNSA-N

Smiles

C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@]24CO4)COC(=O)C)O