[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate

Base Information

Chemical Name:[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate
CAS No.:76043-47-5
Molecular Formula:C₂₁H₃₂O₄
Molecular Weight:348.483
Hs Code.:
NSC Number:79607
DSSTox Substance ID:DTXSID90997379
Nikkaji Number:J2.992.849E
Wikidata:Q82989472

Synonyms:76043-47-5;NSC79607;DTXSID90997379;NSC-79607;5a,7a-Dimethyl-2-oxohexadecahydro-2H-cyclopenta[5,6]naphtho[1,2-d]oxepin-8-yl acetate

Suppliers and Price of [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate

Supply Marketing:

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

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate

Chemical Property:

Vapor Pressure:7.99E-09mmHg at 25°C
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:348.23005950
Heavy Atom Count:25
Complexity:572

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCOC(=O)C4)C)C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCOC(=O)C4)C)C

Technology Process of [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate

There total 11 articles about [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] acetate 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: 96.8%

: 149970-08-1
methyl <3S-(3α,3aα,5aβ,6β,7α,9aα,9bβ)>-3-(acetyloxy)-6-(2-hydroxyethyl)dodecahydro-3a,6-dimethyl-1H-benzindene-7-acetate

: 76043-47-5
17β-(acetyloxy)-3-oxa-A-homo-5α-androstan-4-one

Guidance literature:: With nickel; In toluene; for 3.5h; Heating;
DOI:10.1021/jm00076a025

Reference yield:

: 566-65-4
dihydroprogesterone

: 76043-46-4
17β-acetoxy-4-oxa-A-homo-5α-androstan-3-one

: 76043-47-5
17β-(acetyloxy)-3-oxa-A-homo-5α-androstan-4-one

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 105 ℃; for 0.0833333h; under 5325.53 Torr; Microwave irradiation;
DOI:10.1016/j.steroids.2011.06.014