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Copalyl diphosphate

  • Formula: C20H36O7P2

  • Molecular weight: 450.40

  • Smiles: CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C

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Copalyl diphosphate

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

  • Mycotoxin name: Copalyl diphosphate

  • First synonym: Copalyl diphosphate

  • Synonyms: Copalyl diphosphate,(+)-Copalyl diphosphate,Labdadienyl diphosphate,5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate,SCHEMBL22874167,CHEBI:30939,LMPR0104030002,Labda-8(20),13-dien-15-ol 15-diphosphoric acid,Q27104181,1alpha,4aalpha,8abeta-labda-8(20),13-dien-15-yl trihydrogen diphosphate,3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

Identifiers / External links

Structure

  • Smiles: CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C

  • Isomeric smiles: C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C

  • Inchi: InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m0/s1

  • Inchikey: JCAIWDXKLCEQEO-ATPOGHATSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H36O7P2

  • Molecular weight: 450.40

  • Monoisotopic mass: 450.19362748

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