[(3S,8R,9S,10R,13S,14S)-17-[(Z)-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-[(Z)-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.:23549-26-0
Molecular Formula:C₂₃H₃₃NO₃
Molecular Weight:371.52
Hs Code.:
European Community (EC) Number:218-530-8
UNII:FZ65778VIO
Nikkaji Number:J299.141A,J228.993H
Wikidata:Q76309349
Mol file:23549-26-0.mol

[(3S,8R,9S,10R,13S,14S)-17-[(Z)-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:23549-26-0;FZ65778VIO;[(3S,8R,9S,10R,13S,14S)-17-[(Z)-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, (Z)-;2174-13-2;Pregna-5,16-dien-20-one,3-(acetyloxy)-,20-oxime,(3beta,20Z)-;[(3S,8R,9S,10R,13S,14S)-17-(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;(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,20Z)-20-(hydroxyimino)pregna-5,16-dien-3-yl acetate;16-DEHYDROPREGNENOLONE ACETATE OXIME;UNII-FZ65778VIO;EINECS 218-530-8;BBL029916;Pregna-5,16-dien-20-one, 3-(acetyloxy)-, 20-oxime, (3beta,20Z)-;STK801803;AKOS005622659;NSC 224249;VS-09500;3beta-Acetoxy-5,16-pregnadiene-20-oneoxime;CS-0009685;20-Hydroxyiminopregna-5,16-dien-3-beta-yl acetate;3beta-Acetoxy-pregna-5,16-diene-20-oxime, (Z)-;W-107523;(20E)-3beta-Acetyloxypregna-5,16-dien-20-one oxime;3.BETA.-ACETOXY-PREGNA-5,16-DIENE-20-OXIME, (Z)-;3beta-Hydroxy-20-oximinopregna-5,16-dien-20-one-3-acetate;Pregna-5,16-dien-20-one, 3beta-hydroxy-, oxime, acetate (ester), (Z)-;PREGNA-5,16-DIEN-20-ONE, 3-(ACETYLOXY)-, 20-OXIME, (3.BETA.,20Z)-;PREGNA-5,16-DIEN-20-ONE, 3.BETA.-HYDROXY-, OXIME, ACETATE (ESTER), (Z)-;(3aS,3bR,7S,9aR,9bS,11aS)-1-[(1Z)-1-(hydroxyimino)ethyl]-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate;(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-ylacetate

Suppliers and Price of [(3S,8R,9S,10R,13S,14S)-17-[(Z)-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:

Manufacture/Brand
Chemicals and raw materials
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Total 5 raw suppliers

Chemical Property of [(3S,8R,9S,10R,13S,14S)-17-[(Z)-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:

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:

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-[(Z)-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 9 articles about [(3S,8R,9S,10R,13S,14S)-17-[(Z)-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:

: 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

Reference yield:

: 212952-62-0
(25S)-3β,26-diacetoxy-furosta-5,20(22)-diene

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

Guidance literature:: Multi-step reaction with 3 steps

1: acetic anhydride; acetic acid; chromium(VI) oxide / water / 6 h / 0 - 20 °C

2: sodium acetate / water / 3 h / Reflux

3: hydroxylamine hydrochloride; N-ethyl-N,N-diisopropylamine / ethanol / 1.5 h / Reflux

With chromium(VI) oxide; hydroxylamine hydrochloride; sodium acetate; acetic anhydride; acetic acid; N-ethyl-N,N-diisopropylamine; In ethanol; water;