(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 95%

cas: 22350-41-0 — see every product listed under this CAS number, including other names

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 95% (CAS 22350-41-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: Fluorochem.

• 2D
• 3D

5,6-trans-vitamin D3 is a member of the class of D3 vitamins that is calciol in which the double bond at position 5 adopts a trans-configuration. During exposure to sunlight, previtamin D3 and vitamin D3 in the skin become photoisomerized to 5,6-trans-vitamin D3. It has a role as a human metabolite. It is a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of D3 vitamins. It is functionally related to a calciol.

Source: ChEBI

Identity

Molecular formula	C27H44O
Molecular weight	384.6 g/mol
IUPAC name	(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChIKey	QYSXJUFSXHHAJI-FVUVGDFOSA-N
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C

Computed by PubChem (NCBI)

Synonyms: trans-Vitamin D3, 5,6-trans-Vitamin D3, cholecalciferol EP impurity A, (5E)-vitamin D3, (3S,5E,7E)-9,10-secocholesta-5,7,10-trien-3-ol, (5E,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol, Cholecalciferol Impurity A, 5,6-trans-Cholecalciferol, 5,6-trans-Vitamin D3, ~90%, (5e)-cholecalciferol

Related forms of this compound

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C₂₇H₄₄O

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C₂₇H₄₄O

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C₂₇H₄₄O

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol C₂₇H₄₄O

(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C₂₇H₄₄O

Isomers (same molecular formula)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₄O

(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₄O

(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C₂₇H₄₄O

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₄O

(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₄O

(1S)-3-[(E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C₂₇H₄₄O

(1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C₂₇H₄₄O

Also listed as

Cholecalciferol Impurity 1（Cholecalciferol EP Impurity A） Hubei YoungXin CAS 22350-41-0

Cholecalciferol EP Impurity A Chemat Brand CAS 22350-41-0

Cholecalciferol EP Impurity A (5,6-trans-Cholecalciferol, 5,6-trans-Vitamin D3) Chemat Brand CAS 22350-41-0

5,6-trans-Vitamin D3, ~90% TRC CAS 22350-41-0

5,6-trans-Vitamin D3/ 97.9% (existing batch purity) TargetMol CAS 22350-41-0

5,6–trans–Vitamin D3 GLPBio CAS 22350-41-0

Cholecalciferol impurity A Biosynth CAS 22350-41-0

5,6-trans-Vitamin D3, 99.90% MedChemExpress CAS 22350-41-0

5,6-trans-Vitamin D3 (Standard) MedChemExpress CAS 22350-41-0

Cholecalciferol impurity A, 2 mg Roth CAS 22350-41-0

Cholecalciferol impurity A, 5 mg Roth CAS 22350-41-0

Cholecalciferol impurity A, 10 mg Roth CAS 22350-41-0

Cholecalciferol impurity A, 25 mg Roth CAS 22350-41-0

5,6-trans-vitamin D3 >= 90 % HPLC Sigma-Aldrich CAS 22350-41-0

Cholecalciferol impurity A CRS Sigma-Aldrich CAS 22350-41-0

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 99% Fluorochem CAS 22350-41-0