Product Code

TRC-C144200

CAS Number

112965-21-6

Product Format

Neat

Molecular Formula

C27 H40 O3

Molecular Weight

412.60

API Family

Calcipotriene

Product Categories

TRC, Vitamins, Vitamins and derivatives, API Reference Standards & Research Materials, Impurity Reference Materials , Vitamins and derivatives, Vitamin D Receptors, Multiple Sclerosis, Sleep, Stress and Anxiety, Additional Covid-19 Research materials

Product Type

Native/Parent, Impurity, API

Drug Type

Vitamins & Derivatives

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Calcipotriene

CAS Number

112965-21-6

Molecular Formula

C27 H40 O3

Molecular Weight

412.60

Accurate Mass

412.2977

SMILES

C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C

InChI

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

IUPAC

(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Calcipotriene

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