Zaragozic acid c

  • Formula: C40H50O14

  • Molecular weight: 754.80

  • Smiles: CC(CCCC1=CC=CC=C1)C=CCCC(=O)OC2C(C3(OC(C(C2(O3)C(=O)O)(C(=O)O)O)C(=O)O)CCCC(C(C)CC4=CC=CC=C4)OC(=O)C)O

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Zaragozic acid c

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Zaragozic acid c

  • First synonym: Zaragozic acid c

  • Synonyms: zaragozic acid C, (+)-Zaragozic acid, UNII-04ISX24T1B, 146389-62-0, 04ISX24T1B, CHEMBL505374, CHEBI:83934, L-697350, (1S,3S,4S,5R,6R,7R)-1-((4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl)-4,7-dihydroxy-6-(((R,E)-6-methyl-9-phenylnon-4-enoyl)oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid, Zaragozic acid C [MI], GTPL3073, BDBM50292333, L-Erythro-L-glycero-D-altro-7-trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-c-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-((4E,6R)-6-methyl-9-phenyl-4-nonenoate), (7S)-, Q27089281, (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-benzylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid, (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

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Structure

  • Smiles: CC(CCCC1=CC=CC=C1)C=CCCC(=O)OC2C(C3(OC(C(C2(O3)C(=O)O)(C(=O)O)O)C(=O)O)CCCC(C(C)CC4=CC=CC=C4)OC(=O)C)O

  • Isomeric smiles: C[C@H](CCCC1=CC=CC=C1)/C=C/CCC(=O)O[C@@H]2[C@H]([C@]3(O[C@@H]([C@]([C@@]2(O3)C(=O)O)(C(=O)O)O)C(=O)O)CCC[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O

  • Inchi: InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1

  • Inchikey: KQMNJFMTGHRJHM-ZFSXNWTMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H50O14

  • Molecular weight: 754.80

  • Monoisotopic mass: 754.32005626

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