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Calcitroic Acid

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For Research Use Only | Not For Clinical Use
CATAPS71204892
CAS71204-89-2
Structure
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
Molecular Weight374.51
Molecular FormulaC23H34O4
Canonical SMILESC[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
InChIInChI=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
Accurate Mass374.2457
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Size1MG
Storage Conditions-20°C Freezer
SubcategoryVitamins and derivatives, Vitamins
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