CID 11727707

Base Information

• Chemical Name: CID 11727707
• CAS No.: 10385-97-4
• Molecular Formula: C21H30 O4
• Molecular Weight: 346.467
• Mol file: 10385-97-4.mol

Synonyms:18,20-cyclo-20,21-dihydroxy-4-pregnen-3-one

Chemical Property of CID 11727707

Chemical Property:

• Vapor Pressure: 4.62E-14mmHg at 25°C
• Boiling Point: 543.1°Cat760mmHg
• Flash Point: 191.8°C
• PSA: 66.76000
• Density: 1.26g/cm³
• LogP: 2.82570
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 346.21440943
• Heavy Atom Count: 25
• Complexity: 642

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC45C3CCC4C(OC5)(CO)O
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]45[C@H]3CC[C@@H]4C(OC5)(CO)O

Technology Process of CID 11727707

There total 4 articles about CID 11727707 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:

21-Hydroxyprogesterone (64-85-7) → Corticosterone (50-22-6) + 18,21-dihydroxy-4-pregnen-3,20-dione (10385-97-4) + 11β,18,21-trihydroxy-4-pregnen-3,20-dione (3885-55-0)

Guidance literature:

With carbon dioxide; Krebs-Ringer bicarbonate solution; surrounding adrenal tissue of patients with Cushing's syndrome; oxygen; In ethanol; at 37 ℃; for 1h; Product distribution; tritium labeled study;

DOI:10.1016/0039-128X(80)90076-8

Reference yield:

Progesterone (57-83-0) → 21-Hydroxyprogesterone (64-85-7) + Corticosterone (50-22-6) + 18,21-dihydroxy-4-pregnen-3,20-dione (10385-97-4) + 11β,18,21-trihydroxy-4-pregnen-3,20-dione (3885-55-0)

Guidance literature:

With carbon dioxide; Krebs-Ringer bicarbonate solution; surrounding adrenal tissue of patients with Cushing's syndrome; oxygen; In ethanol; at 37 ℃; for 1h; Product distribution; tritium labeled study;

DOI:10.1016/0039-128X(80)90076-8

Reference yield:

Pregnenolone (145-13-1) → Corticosterone (50-22-6) + aldosterone (52-39-1,47468-70-2) + 18,21-dihydroxy-4-pregnen-3,20-dione (10385-97-4)

Guidance literature:

With air; dibutyric cyclic AMP; NaHCO₃ buffer; normal male Sprague-Dawley rat adrenal glands after feeding for 72 h with 1 percent NaCl; at 37 ℃; for 3h; Product distribution; tritium labeled study;

DOI:10.1016/0039-128X(80)90082-3

upstream raw materials:

Progesterone

Pregnenolone

21-Hydroxyprogesterone

Refernces

• 1、 Usa,Ganguly,Weinberger. "Differences between adrenal adenoma causing primary aldosteronism and other adrenal tissues in the incorporation of labeled steroid precursors into their products". . p. 531 - 545. Retrieved 2007/10/02.