(1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

Base Information Edit

Chemical Name:(1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
CAS No.:22350-41-0
Molecular Formula:C₂₇H₄₄O
Molecular Weight:384.646
Hs Code.:
Metabolomics Workbench ID:39007
Nikkaji Number:J2.023.112B
Mol file:22350-41-0.mol

Synonyms:5,6-trans-Vitamin D3;(1S,3E)-3-[(2E)-2-[(1R,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;5,6-trans-Cholecalciferol;Cholecalciferol Impurity A;SCHEMBL10034116;QYSXJUFSXHHAJI-YYJGPZIQSA-N;(1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol;1260149-80-1;3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-Cyclohexanol

Suppliers and Price of (1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

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

Usbiological
5,6-trans-Vitamin D3
2.5mg
$ 460.00

TRC
5,6-trans-VitaminD3,~90%
2.5mg
$ 180.00

Medical Isotopes, Inc.
5,6-trans-VitaminD3
2.5 mg
$ 650.00

ChemScene
5,6-trans-VitaminD3 99.44%
5mg
$ 410.00

ChemScene
5,6-trans-VitaminD3 99.44%
10mg
$ 660.00

Biosynth Carbosynth
Cholecalciferol Impurity A
25 mg
$ 1000.00

Biosynth Carbosynth
Cholecalciferol Impurity A
10 mg
$ 550.00

Biosynth Carbosynth
Cholecalciferol Impurity A
1 mg
$ 120.00

Biosynth Carbosynth
Cholecalciferol Impurity A
5 mg
$ 350.00

Biosynth Carbosynth
Cholecalciferol Impurity A
2 mg
$ 200.00

Total 20 raw suppliers

Chemical Property of (1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol Edit

Chemical Property:

Vapor Pressure:6.16E-12mmHg at 25°C
Refractive Index:1.523
Boiling Point:496.4°Cat760mmHg
PKA:14.74±0.20(Predicted)
Flash Point:214.3°C
PSA：20.23000
Density:0.96g/cm³
LogP:7.61900
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:384.339216023
Heavy Atom Count:28
Complexity:610

Purity/Quality:

97% ^*data from raw suppliers

5,6-trans-Vitamin D3 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C
Uses 5,6-trans-Vitamin D3 is the major photoisomer of Vitamin D3 analog, as an impurity.

Technology Process of (1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

There total 50 articles about (1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol 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: 90.0%