Compound Summary


  Compound Information
 cantharidin

Compound Name:

cantharidin

Compound CID:

5944

Synonyms:

cantharidin

56-25-7

Cantharone

CANTHARIDINE

Kantaridin

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Iupac Name:

(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

InChI:

InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

InChIKey:

DHZBEENLJMYSHQ-XCVPVQRUSA-N

Canonical Smiles:

CC12C3CCC(C1(C(=O)OC2=O)C)O3

Isomeric Smiles:

C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3

Molecular Weight:

196.2

Molecular Formula:

C10H12O4

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 cantharidin

Molecular Weight:

196.2

Molecular Formula:

C10H12O4

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

4

Rotatable Bond Count:

0

Heavy Atom Count:

14

Complexity:

318

  Synonyms
 cantharidin

  Experimental Data
 cantharidin

  Experimental Data Visualization
 cantharidin

  Statistics Data
 cantharidin

  Statistics Data Visualization
 cantharidin