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Technology Process of Ajugamarin A2

Ajugamarin A2

Base Information
  • Chemical Name:Ajugamarin A2
  • CAS No.:122587-82-0
  • Molecular Formula:C31H42 O11
  • Molecular Weight:590.6586
  • Hs Code.:
  • ChEMBL ID:CHEMBL1813872
  • DSSTox Substance ID:DTXSID601098139
  • Nikkaji Number:J1.132.338C
  • Wikidata:Q27138228
Ajugamarin A2

Synonyms:Ajugamarin A2;CHEBI:69884;122587-82-0;CHEMBL1813872;DTXSID601098139;Q27138228;(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methylbut-2-enoate;[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate;2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-yl ester, (2E)-

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Chemical Property of Ajugamarin A2
Chemical Property:
  • Boiling Point:667.5°Cat760mmHg 
  • Flash Point:276.7°C 
  • Density:1.25g/cm3 
  • XLogP3:2.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:13
  • Exact Mass:590.27271215
  • Heavy Atom Count:42
  • Complexity:1200
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC=C(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C
  • Isomeric SMILES:C/C=C(\C)/C(=O)O[C@@H]1CC[C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C[C@@H](C4=CC(=O)OC4)OC(=O)C)COC(=O)C
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