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(+/-)-Trachyspic acid

Base Information
  • Chemical Name:(+/-)-Trachyspic acid
  • CAS No.:512808-12-7
  • Molecular Formula:C20H28O9
  • Molecular Weight:
  • Hs Code.:
  • UNII:VJA25444QX,U32USC3QC2
  • ChEMBL ID:CHEMBL5175115
  • DSSTox Substance ID:DTXSID601045459
  • Nikkaji Number:J1.893.354C
  • Wikidata:Q105155600
(+/-)-Trachyspic acid

Synonyms:(+/-)-Trachyspic acid;U32USC3QC2;Trachyspic acid, (+/-)-;UNII-U32USC3QC2;CHEMBL5175115;512808-12-7;1,6-Dioxaspiro(4.4)non-7-ene-2,3-dicarboxylic acid, 2-(carboxymethyl)-8-nonyl-9-oxo-, (2R,3R,5R)-rel-;Rel-(2R,3R,5R)-2-(carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro(4.4)non-7-ene-2,3-dicarboxylic acid;(+)-Trachyspic acid;1,6-Dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid, 2-(carboxymethyl)-8-nonyl-9-oxo-, (2R,3R,5R)-rel-;rel-(2R,3R,5R)-2-(Carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid;TRACHYSPIC ACID, (+)-;DTXSID601045459;BDBM50595401;(3S,4S,6S)-TRACHYSPIC ACID;(+)-(3S,4S,6S)-TRACHYSPIC ACID;(2S,3S,5S)-2-(CARBOXYMETHYL)-8-NONYL-9-OXO-1,6-DIOXASPIRO(4.4)NON-7-ENE-2,3-DICARBOXYLIC ACID;1,6-DIOXASPIRO(4.4)NON-7-ENE-2,3-DICARBOXYLIC ACID, 2-(CARBOXYMETHYL)-8-NONYL-9-OXO-, (2S,3S,5S)-

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Chemical Property of (+/-)-Trachyspic acid
Chemical Property:
  • XLogP3:3.1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:12
  • Exact Mass:412.17333247
  • Heavy Atom Count:29
  • Complexity:698
Purity/Quality:
Safty Information:
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  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O
  • Isomeric SMILES:CCCCCCCCCC1=CO[C@@]2(C1=O)C[C@@H]([C@@](O2)(CC(=O)O)C(=O)O)C(=O)O
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