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Technology Process of Nalanthalide

Nalanthalide

Base Information
  • Chemical Name:Nalanthalide
  • CAS No.:145603-76-5
  • Molecular Formula:C30H44O5
  • Molecular Weight:484.676
  • Hs Code.:
  • DSSTox Substance ID:DTXSID801099690
  • Nikkaji Number:J1.478.614G
  • Wikidata:Q27135227
  • Pharos Ligand ID:SPR8T24CMKQ7
  • Metabolomics Workbench ID:64677
  • ChEMBL ID:CHEMBL516932
Nalanthalide

Synonyms:Nalanthalide;(-)-Nalanthalide;145603-76-5;CHEMBL516932;CHEBI:66610;[(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate;3-[[(1R,4aR,5S,6S,8aR)-6-(acetyloxy)decahydro-5,8a-dimethyl-2-methylene-5-(4-methyl-3-penten-1-yl)-1-naphthalenyl]methyl]-2-methoxy-5,6-dimethyl-4H-pyran-4-one;(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-en-1-yl)decahydronaphthalen-2-yl acetate;3-[[(1R,4aR,5S,6S,8aR)-6-(acetyloxy)decahydro-5,8a-dimethyl-2-methylene-5-(4-methyl-3-pentenyl)-1-naphthalenyl]methyl]-2-methoxy-5,6-dimethyl-4H-pyran-4-one;DTXSID801099690;BDBM50265825;Q27135227;[(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxo-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylene-1-(4-methylpent-3-enyl)decalin-2-yl] acetate;4H-Pyran-4-one, 3-[[(1R,4aR,5S,6S,8aR)-6-(acetyloxy)decahydro-5,8a-dimethyl-2-methylene-5-(4-methyl-3-pentenyl)-1-naphthalenyl]methyl]-2-methoxy-5,6-dimethyl-

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Chemical Property of Nalanthalide
Chemical Property:
  • XLogP3:6.7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:8
  • Exact Mass:484.31887450
  • Heavy Atom Count:35
  • Complexity:979
Purity/Quality:
Safty Information:
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MSDS Files:
Useful:
  • Canonical SMILES:CC1=C(OC(=C(C1=O)CC2C(=C)CCC3C2(CCC(C3(C)CCC=C(C)C)OC(=O)C)C)OC)C
  • Isomeric SMILES:CC1=C(OC(=C(C1=O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@@]3(C)CCC=C(C)C)OC(=O)C)C)OC)C
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