[(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Base Information

Chemical Name:[(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS No.:23549-24-8
Molecular Formula:C23H33 N O3
Molecular Weight:371.52
Hs Code.:
European Community (EC) Number:218-530-8,245-726-0
UNII:9ZIV2XI6U2
DSSTox Substance ID:DTXSID701211043
Mol file:23549-24-8.mol

[(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Synonyms:UNII-9ZIV2XI6U2;23549-24-8;9ZIV2XI6U2;2174-13-2;[(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;16-DEHYDROPREGNENOLONE ACETATE OXIME;Pregnenolone-16-ene acetate oxime;(3S,8R,9S,10R,13S,14S)-17-((Z)-1-(hydroxyimino)ethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate;3beta-Acetoxy-pregna-5,16-diene-20-oxime, (E)-;DTXSID701211043;EINECS 245-726-0;16-DEHYDROPREGNENOLONE ACETATE OXIME, (E)-;3beta-Hydroxy-pregna-5,16-dien-20-one Acetate Oxime;(3beta,20E)-3-(Acetyloxy)pregna-5,16-dien-20-one 20-oxime;3.BETA.-ACETOXY-PREGNA-5,16-DIENE-20-OXIME, (E)-;3beta-Hydroxy-pregna-5,16-dien-20-one Oxime Acetate (Ester);PREGNA-5,16-DIEN-20-ONE, 3-(ACETYLOXY)-, 20-OXIME, (3.BETA.,20E)-;PREGNA-5,16-DIEN-20-ONE, 3.BETA.-HYDROXY-, OXIME, ACETATE (ESTER), (E)-

Suppliers and Price of [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-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 5 raw suppliers

Chemical Property of [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Chemical Property:

Boiling Point:495°Cat760mmHg
Flash Point:253.2°C
PSA：58.89000
Density:1.23g/cm³
LogP:5.26730
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:371.24604391
Heavy Atom Count:27
Complexity:736

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES:C/C(=N\O)/C1=CC[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 [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

There total 10 articles about [(3S,8R,9S,10R,13S,14S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-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: 97.0%

: 979-02-2
16-dehydropregnenolone acetate

: 23549-24-8,23549-26-0,2174-13-2
3β-acetoxy-20-hydroxyiminopregna-5,16-diene

Guidance literature:: With pyridine; hydroxylamine hydrochloride; In ethanol; for 0.5h; Reflux;
DOI:10.1021/acs.orglett.8b01783

Reference yield: 63.0%

: 979-02-2
16-dehydropregnenolone acetate

: 23549-24-8
16-dehydropregnenoloneacetate-20-oxime

Guidance literature:: With potassium dihydrogenphosphate; hydroxylamine hydrochloride; In ethanol; for 0.5h; Heating;

Reference yield:

: 512-04-9
diosgenin

: 23549-24-8,23549-26-0,2174-13-2
3β-acetoxy-20-hydroxyiminopregna-5,16-diene

Guidance literature:: Multi-step reaction with 2 steps

1.1: NH₄Cl / pyridine / Heating

1.2: CrO₃; CH₃COOH / 1,2-dichloro-ethane / 0 °C

1.3: AcONa*3H₂O / Heating

2.1: 87 percent / NH₂OH*HCl / pyridine; ethanol; H₂O / 0.5 h / Heating

With hydroxylamine hydrochloride; ammonium chloride; In pyridine; ethanol; water;
DOI:10.1016/j.steroids.2005.07.006