(5E)-isovitamin D2/(5E)-isoergocalciferol

Base Information Edit

Chemical Name:(5E)-isovitamin D2/(5E)-isoergocalciferol
CAS No.:51744-67-3
Molecular Formula:C₂₈H₄₄O
Molecular Weight:396.657
Hs Code.:
UNII:ST6N4V7CGC
Metabolomics Workbench ID:35511
Mol file:51744-67-3.mol

Synonyms:Isovitamin D2;Isovitamin-D2;(5E)-Isovitamin D2;ST6N4V7CGC;51744-67-3;(5E)-isovitamin D2 / (5E)-isoergocalciferol;(5E,7E,22E)-(3S)-9,10-seco-1(10),5,7,22-ergostatetraen 3-ol;(1S,5E)-4-Methyl-5-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-3-cyclohexen-1-ol;(1S,5E)-5-((2E)-2-((1R,3aS,7aR)-7a-Methyl-1-((E,1R,4R)-1,4,5-trimethylhex-2-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene)-4-methyl-cyclohex-3-en-1-ol;3-Cyclohexen-1-ol, 4-methyl-5-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-, (1S,5E)-;LMST03010019;UNII-ST6N4V7CGC;9,10-Secoergosta-1(10),5,7,22-tetraen-3-ol, (3beta,5E,7E,22E)-;9,10-SECOERGOSTA-1(10),5,7,22-TETRAEN-3-OL, (3.BETA.,5E,7E,22E)-

Suppliers and Price of (5E)-isovitamin D2/(5E)-isoergocalciferol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
IsovitaminD2
25mg
$ 900.00

TRC
IsovitaminD2
10mg
$ 455.00

TRC
IsovitaminD2
5mg
$ 240.00

TRC
IsovitaminD2
2.5mg
$ 130.00

Total 0 raw suppliers

Chemical Property of (5E)-isovitamin D2/(5E)-isoergocalciferol Edit

Chemical Property:

PSA：20.23000
LogP:7.64100
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:396.339216023
Heavy Atom Count:29
Complexity:691

Purity/Quality:: IsovitaminD2 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(CC1=CC=C2CCCC3(C2CCC3C(C)C=CC(C)C(C)C)C)O
Isomeric SMILES:CC\1=CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O
Uses Isovitamin D2 is an intermediate in the synthesis of Isotachysterol (I902450), which is a vitamin D analog.

Technology Process of (5E)-isovitamin D2/(5E)-isoergocalciferol

There total 6 articles about (5E)-isovitamin D2/(5E)-isoergocalciferol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 11.0%