Analyte Name

Calcioic Acid

CAS Number

76794-34-8

Molecular Formula

C23 H34 O3

Molecular Weight

358.514

Accurate Mass

358.251

SMILES

C[C@H](CC(=O)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C

InChI

InChI=1S/C23H34O3/c1-15-6-9-19(24)14-18(15)8-7-17-5-4-12-23(3)20(10-11-21(17)23)16(2)13-22(25)26/h7-8,16,19-21,24H,1,4-6,9-14H2,2-3H3,(H,25,26)/b17-7+,18-8-/t16-,19+,20-,21+,23-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat