Calcitroic Acid

• CAS Number :

  71204-89-2

• Hazard Statement :

  Fatal if swallowed; UN number: UN2811; Packing Group: II

• Smiles :

  C[C@H](CC(=O)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C

• Molecular Formula :

  C23 H34 O4

• Molecular Weight :

  374.51

• InChI :

  InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1

• Additionnal Information :

  IUPAC name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid

• Shipping Conditions :

  Ice Packs

• Storage Conditions :

  -86°C