[6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate

Base Information

Chemical Name:[6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
CAS No.:101691-14-9
Molecular Formula:C₃₅H₆₀O₁₀
Molecular Weight:640.855
Hs Code.:

[6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate

Synonyms:

Suppliers and Price of [6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate

Supply Marketing:

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

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Chemical Property of [6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate

Chemical Property:

Vapor Pressure:8.38E-26mmHg at 25°C
Boiling Point:747.7°Cat760mmHg
Flash Point:225.7°C
PSA：166.14000
Density:1.24g/cm³
LogP:2.77760
XLogP3:4.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:640.41864811
Heavy Atom Count:45
Complexity:1010

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)OC5C(C(C(C(O5)CO)O)O)O)O)C)COC(=O)C

Technology Process of [6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate

There total 10 articles about [6-[3,12-dihydroxy-10,13-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 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:

: 81-25-4
cholic acid

: 101691-14-9
mosesin-4

Guidance literature:: Multi-step reaction with 10 steps

1: 94.7 percent / 4-dimethylaminopyridine / pyridine / 3.5 h / 0 deg C then rt., 3.5 h

2: 48 percent / iodosobenzene diacetate, iodine / CCl₄ / 2 h / Heating; Irradiation

3: 89 percent / silver carbonate / acetone; H₂O / 1.) 2.5 h 2.) reflux, overnight

4: 85 percent / PCC / CH₂Cl₂ / 1.5 h

5: 50 percent / tetrahydrofuran / 1 h / -20 - 0 °C

6: 3.0 g / NaOH / tetrahydrofuran; methanol; H₂O / 6.5 h / Heating

7: 91 percent / pyridine / dioxane / cooling then rt., 30 min

8: 1.) Me₃SiOTf, molecular sieves 4 Angstroem / 1.) C₂H₄Cl₂, -20 deg C, 1 h 2.) C₂H₄Cl₂, -20 deg C, 14 h

9: 86 percent / NaOH / tetrahydrofuran; methanol; H₂O / Ambient temperature

With pyridine; dmap; sodium hydroxide; trimethylsilyl trifluoromethanesulfonate; [bis(acetoxy)iodo]benzene; 4 A molecular sieve; iodine; silver carbonate; pyridinium chlorochromate; In tetrahydrofuran; 1,4-dioxane; pyridine; methanol; tetrachloromethane; dichloromethane; water; acetone;
DOI:10.1016/S0040-4020(01)89488-6

Reference yield:

: 52840-09-2
cholic acid 3,7,12-triacetate

: 101691-14-9
mosesin-4

Guidance literature:: Multi-step reaction with 9 steps

1: 48 percent / iodosobenzene diacetate, iodine / CCl₄ / 2 h / Heating; Irradiation

2: 89 percent / silver carbonate / acetone; H₂O / 1.) 2.5 h 2.) reflux, overnight

3: 85 percent / PCC / CH₂Cl₂ / 1.5 h

4: 50 percent / tetrahydrofuran / 1 h / -20 - 0 °C

5: 3.0 g / NaOH / tetrahydrofuran; methanol; H₂O / 6.5 h / Heating

6: 91 percent / pyridine / dioxane / cooling then rt., 30 min

7: 1.) Me₃SiOTf, molecular sieves 4 Angstroem / 1.) C₂H₄Cl₂, -20 deg C, 1 h 2.) C₂H₄Cl₂, -20 deg C, 14 h

8: 86 percent / NaOH / tetrahydrofuran; methanol; H₂O / Ambient temperature

With pyridine; sodium hydroxide; trimethylsilyl trifluoromethanesulfonate; [bis(acetoxy)iodo]benzene; 4 A molecular sieve; iodine; silver carbonate; pyridinium chlorochromate; In tetrahydrofuran; 1,4-dioxane; methanol; tetrachloromethane; dichloromethane; water; acetone;
DOI:10.1016/S0040-4020(01)89488-6

Reference yield:

: 126559-91-9
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((E)-(1R,5R)-6-Benzyloxy-1,5-dimethyl-hex-3-enyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,7,12-triol

: 101691-14-9
mosesin-4

Guidance literature:: Multi-step reaction with 4 steps

1: 91 percent / pyridine / dioxane / cooling then rt., 30 min

2: 1.) Me₃SiOTf, molecular sieves 4 Angstroem / 1.) C₂H₄Cl₂, -20 deg C, 1 h 2.) C₂H₄Cl₂, -20 deg C, 14 h

3: 86 percent / NaOH / tetrahydrofuran; methanol; H₂O / Ambient temperature

With pyridine; sodium hydroxide; trimethylsilyl trifluoromethanesulfonate; 4 A molecular sieve; In tetrahydrofuran; 1,4-dioxane; methanol; water;
DOI:10.1016/S0040-4020(01)89488-6