(7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide

Base Information

Chemical Name:(7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide
CAS No.:71726-02-8
Molecular Formula:C₂₇H₄₄O₃S
Molecular Weight:448.711
Hs Code.:
DSSTox Substance ID:DTXSID00429510
Metabolomics Workbench ID:35800
Mol file:71726-02-8.mol

Synonyms:71726-02-8;LMST03020251;(7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide;(3S,5S)-3-[(E)-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-2,2-dioxo-1,3,4,5,6,7-hexahydro-2-benzothiophen-5-ol;DTXSID00429510;HPBJDQZFOWHNAQ-QXHKUGGASA-N

Suppliers and Price of (7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide

Supply Marketing:

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

Medical Isotopes, Inc.
(3β,6S,7E)-6,19-Sulfonyl-9,10-secocholesta-5(10),7-dien-3-ol
10 mg
$ 650.00

Medical Isotopes, Inc.
(3β,6S,7E)-6,19-Sulfonyl-9,10-secocholesta-5(10),7-dien-3-ol
100 mg
$ 2200.00

TRC
(3β,6S,7E)-6,19-Sulfonyl-9,10-secocholesta-5(10),7-dien-3-ol
100mg
$ 1320.00

Total 2 raw suppliers

Chemical Property of (7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide

Chemical Property:

PSA：62.75000
LogP:7.31080
Storage Temp.:-20°C Freezer
Solubility.:Dichloromethane, Dimethyl Sulfoxide, Ethyl Acetate, Methano
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:448.30111643
Heavy Atom Count:31
Complexity:831

Purity/Quality:

99% ^*data from raw suppliers

(3β,6S,7E)-6,19-Sulfonyl-9,10-secocholesta-5(10),7-dien-3-ol ^*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=CC3C4=C(CCC(C4)O)CS3(=O)=O)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]3C4=C(CC[C@@H](C4)O)CS3(=O)=O)C
Uses Intermediate in the synthesis of 5,6-trans-Vitamin D3 (V676065) and (5E)-calciferol derivatives.

Technology Process of (7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide

There total 4 articles about (7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide 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: 46.0%