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Product Overview

Product Code

TRC-C144550

CAS Number

71204-89-2

Product Format

Neat

Molecular Formula

C23 H34 O4

Molecular Weight

374.51

API Family

Vitamin D3, Calcitriol

Product Categories

TRC, Vitamins

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Calcitroic Acid

CAS Number

71204-89-2

Molecular Formula

C23 H34 O4

Molecular Weight

374.51

Accurate Mass

374.2457

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

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

IUPAC

(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

Product Data

Storage Temperature

-86°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

API Family

Vitamin D3; Calcitriol

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