Epicholesterol acetate

Base Information

Chemical Name:Epicholesterol acetate
CAS No.:1059-85-4
Molecular Formula:C29H48 O2
Molecular Weight:428.699
Hs Code.:
UNII:3596SFA73E
Nikkaji Number:J1.424.845E
Wikidata:Q27256446
Mol file:1059-85-4.mol

Synonyms:Epicholesterol acetate;1059-85-4;5-CHOLESTEN-3-ALPHA-OL ACETATE;3596SFA73E;[(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;UNII-3596SFA73E;ANTIMONY(III)OXIDE;3alpha-acetoxycholest-5-ene;EPICHOLESTERYL ACETATE;SCHEMBL6300400;XUGISPSHIFXEHZ-GPJXBBLFSA-N;3.ALPHA.-ACETYLCHOLESTERIN;EPICHOLESTEROL ACETATE [MI];EPICHOLESTEROL ACETATE, (-)-;3.ALPHA.-ACETOXYCHOLEST-5-ENE;Cholest-5-en-3-ol,acetate,(3a)-(9ci);Q27256446;CHOLEST-5-EN-3-OL, 3-ACETATE, (3.ALPHA.)-

Suppliers and Price of Epicholesterol 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

American Custom Chemicals Corporation
EPICHOLESTEROL ACETATE 95.00%
5MG
$ 456.35

Total 8 raw suppliers

Chemical Property of Epicholesterol acetate

Chemical Property:

PSA：26.30000
LogP:7.95950
XLogP3:9.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:428.365430770
Heavy Atom Count:31
Complexity:693

Purity/Quality:

99% ^*data from raw suppliers

EPICHOLESTEROL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Technology Process of Epicholesterol acetate

There total 5 articles about Epicholesterol 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:

: C₂₉H₄₂O₂

: 604-35-3
Cholesteryl acetate

: 1059-85-4
3-epicholesteryl acetate

Guidance literature:: With hydrogen; In isopropyl alcohol; at 30 ℃; for 11h;

Reference yield:

: 40736-33-2
(20S)-20-hydroxymethylpregn-4-en-3-one

: 604-35-3
Cholesteryl acetate

: 1059-85-4
3-epicholesteryl acetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-chloro-succinimide; sodium hydrogencarbonate; tetrabutylammomium bromide / dichloromethane; water / 6 h / 0 °C

2.1: triphenylphosphine / toluene / 2 h / 135 °C

2.2: 2.5 h / Cooling with ice

2.3: 2.5 h / 135 °C

3.1: acetic anhydride; pyridine / 3.5 h / Reflux

4.1: hydrogen / isopropyl alcohol / 11 h / 30 °C

With pyridine; N-chloro-succinimide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutylammomium bromide; hydrogen; acetic anhydride; sodium hydrogencarbonate; triphenylphosphine; In dichloromethane; water; isopropyl alcohol; toluene;

Reference yield:

: 3986-89-8
(20S)-3-oxopregn-4-ene-20-carboxaldehyde

: 604-35-3
Cholesteryl acetate

: 1059-85-4
3-epicholesteryl acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: triphenylphosphine / toluene / 2 h / 135 °C

1.2: 2.5 h / Cooling with ice

1.3: 2.5 h / 135 °C

2.1: acetic anhydride; pyridine / 3.5 h / Reflux

3.1: hydrogen / isopropyl alcohol / 11 h / 30 °C

With pyridine; hydrogen; acetic anhydride; triphenylphosphine; In isopropyl alcohol; toluene;