Spinasteryl acetate

Base Information

Chemical Name:Spinasteryl acetate
CAS No.:4651-46-1
Molecular Formula:C₃₁H₅₀O₂
Molecular Weight:454.737
Hs Code.:
DSSTox Substance ID:DTXSID901345812
Nikkaji Number:J83.539K
Mol file:4651-46-1.mol

Synonyms:Spinasteryl acetate;alpha-Spinasterol acetate;4651-46-1;Stigmasta-7,22-dien-3-ol, acetate, (3beta,5alpha,22E)-;[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;5.alpha.-Stigmasta-7,22-dien-3.beta.-ol, acetate;Stigmasta-7,22-dien-3-ol, acetate, (3.beta.,5.alpha.,22E)-;DTXSID901345812;AKOS040761343;Q63395469

Suppliers and Price of Spinasteryl acetate

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

Arctom
alpha-Spinasterolacetate ≥98%
5mg
$ 373.00

Total 13 raw suppliers

Chemical Property of Spinasteryl acetate

Chemical Property:

Vapor Pressure:1.17E-10mmHg at 25°C
Boiling Point:513.6°C at 760 mmHg
Flash Point:261.5°C
PSA：26.30000
Density:0.99g/cm³
LogP:8.37160
XLogP3:8.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:454.381080833
Heavy Atom Count:33
Complexity:778

Purity/Quality:

≥98% ^*data from raw suppliers

alpha-Spinasterolacetate ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C
Isomeric SMILES:CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C

Technology Process of Spinasteryl acetate

There total 21 articles about Spinasteryl 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:

: 481-17-4,481-18-5,18070-03-6,21632-39-3,51547-98-9,53228-01-6,54482-55-2
α-spinasterol

: 108-24-7
acetic anhydride

: 4651-46-1,4651-47-2,14339-57-2,54594-00-2,118203-79-5
(10S)-3c-Acetoxy-10r.13c-dimethyl-17c-((1R:4S)-1.5-dimethyl-4-aethyl-hexen-(2t)-yl)-(5tH.9tH.14tH)-Δ⁷-tetradecahydro-1H-cyclopenta[a]phenanthren

Guidance literature:: DOI:10.1021/ja01878a060

Reference yield:

: 80382-13-4
Acetic acid (3S,5S,9R,10S,13R,14R,17R)-17-{(E)-(1R,4S)-1,5-dimethyl-4-[2-(toluene-4-sulfonyloxy)-ethyl]-hex-2-enyl}-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 4651-46-1
5α-Stigmast-7,22-dien-3β-ol acetat

Guidance literature:: With sodium iodide; zinc; In 1,2-dimethoxyethane; for 2h; Heating;
DOI:10.1039/P19810002561

Reference yield:

: 76282-38-7
(22E,24S)-3β-hydroxy-5α-stigmasta-7,22-diene-24-carbaldehyde

: 4651-46-1
5α-Stigmast-7,22-dien-3β-ol acetat

Guidance literature:: Multi-step reaction with 4 steps

1: 250 mg

2: 180 mg / sodium borohydride / methanol / 0.17 h / 0 °C

3: 85 mg / pyridine / 21 h / 23 °C

4: 45 mg / sodium iodide, zink powder / 1,2-dimethoxy-ethane / 2 h / Heating

With pyridine; sodium tetrahydroborate; sodium iodide; zinc; In methanol; 1,2-dimethoxyethane;
DOI:10.1039/P19810002561