CID 11876068

Base Information

Chemical Name:CID 11876068
CAS No.:50588-22-2
Molecular Formula:C₂₁H₃₀O₄
Molecular Weight:346.467
Hs Code.:
European Community (EC) Number:610-544-6
DSSTox Substance ID:DTXSID901160278
Mol file:50588-22-2.mol

Synonyms:2a,3a,16a,17a-Diepoxy-17b-acetoxy-5a-androstane;50588-22-2;[(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-Dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate;SCHEMBL3834054;DTXSID901160278;AMY36882;AKOS015896210;2a,3a,16a,17a-Diepoxy-17b-acetoxy-5aandrostane;2Alpha,3Alpha:16Alpha,17Alpha-Diepoxy-17Beta-acetoxy-5Alpha-androstane;(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.0,.0,.0,.0,nonadecan-16-yl acetate;Androstan-17-ol, 2,3:16,17-diepoxy-, 17-acetate, (2alpha,3alpha,5alpha,16alpha,17beta)-

Suppliers and Price of CID 11876068

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

Matrix Scientific
2a,3a,16a,17a-Diepoxy-17b-acetoxy-5a-androstane 95+%
1g
$ 975.00

Matrix Scientific
2a,3a,16a,17a-Diepoxy-17b-acetoxy-5a-androstane 95+%
250mg
$ 439.00

American Custom Chemicals Corporation
(2A,3A,5A,16A,17BETA)-2,3:16,17-DIEPOXY-ANDROSTAN-17-OL, ACETATE 95.00%
25G
$ 1429.84

AK Scientific
2alpha,3alpha,16alpha,17alpha-Diepoxy-17beta-acetoxy-5alpha-androstane
1g
$ 1366.00

Total 104 raw suppliers

Chemical Property of CID 11876068

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.569
Boiling Point:428.8 °C at 760 mmHg
Flash Point:185.9 °C
PSA：26.30000
Density:1.22 g/cm³
LogP:5.25210
Storage Temp.:2-8°C
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:346.21440943
Heavy Atom Count:25
Complexity:648

Purity/Quality:

99% ^*data from raw suppliers

2a,3a,16a,17a-Diepoxy-17b-acetoxy-5a-androstane 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC12C(O1)CC3C2(CCC4C3CCC5C4(CC6C(C5)O6)C)C
Isomeric SMILES:CC(=O)O[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@@H]6[C@H](C5)O6)C)C
Uses An intermediate in the preparation of Dacuronium Bromide (D102700), a metabolite of neuromuscular blocking agent Pancuronium (P178500).

Technology Process of CID 11876068

There total 5 articles about CID 11876068 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: 81.0%

: 50588-42-6
17-acetoxy-5α-androsta-2,16-diene

: 50588-22-2
2α,3α:16α,17α-diepoxy-17β-acetoxy-5α-androstane

Guidance literature:: With Perbenzoic acid; In benzene; for 5h; Ambient temperature;

Reference yield:

: 14639-79-3,24174-20-7,82467-84-3,963-75-7
5α-androst-2-en-17-one

: 50588-22-2
2α,3α:16α,17α-diepoxy-17β-acetoxy-5α-androstane

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / H₂SO₄

2: 81 percent / perbenzoic acid / benzene / 5 h / Ambient temperature

With Perbenzoic acid; sulfuric acid; In benzene;

Reference yield:

: 481-29-8
Epiandrosterone

: 50588-22-2
2α,3α:16α,17α-diepoxy-17β-acetoxy-5α-androstane

Guidance literature:: Multi-step reaction with 4 steps

1: pyridine / 20 h / 20 °C

2: acetic acid; acetic anhydride; sodium acetate / 2 h / Reflux

3: sulfuric acid / 6 h / 20 °C

4: 3-chloro-benzenecarboperoxoic acid / toluene; water / 5 h / 0 - 20 °C

With pyridine; sulfuric acid; sodium acetate; acetic anhydride; acetic acid; 3-chloro-benzenecarboperoxoic acid; In water; toluene;
DOI:10.1016/j.steroids.2021.108928