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Product Overview

Product Code

TRC-V676220

CAS Number

71761-06-3

Product Format

Neat

Molecular Formula

C29 H48 O

Molecular Weight

412.691

API Family

Vitamins

Product Categories

Phytochemical Reference Materials and Research Tools, TRC

Product Type

Other

Documentation

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Product Information

Chemical Data

Analyte Name

Vitamin D5

CAS Number

71761-06-3

Molecular Formula

C29 H48 O

Molecular Weight

412.691

Accurate Mass

412.371

SMILES

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

InChI

InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1

IUPAC

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Vitamins

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Vitamin D5

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