Rubijervine

Base Information

• Chemical Name: Rubijervine
• CAS No.: 79-58-3
• Molecular Formula: C27H43 N O2
• Molecular Weight: 413.644
• NSC Number: 76026
• UNII: R55TZ5WMAQ
• DSSTox Substance ID: DTXSID901016584
• Nikkaji Number: J4.235H
• Wikidata: Q27287812
• Metabolomics Workbench ID: 126027
• ChEMBL ID: CHEMBL1993702
• Mol file: 79-58-3.mol

Synonyms:Rubijervine;Rubigervine;Rubijervin;79-58-3;NSC76026;UNII-R55TZ5WMAQ;R55TZ5WMAQ;NSC-76026;5-21-05-00208 (Beilstein Handbook Reference);Solanid-5-en-3beta,12alpha-diol;NSC 76026;Solanid-5-ene-3-beta,12-alpha-diol;BRN 0095345;delta(sup 5)-3-beta,12-alpha-Dihydroxysolanidene;C27H43NO2;Solanid-5-ene-3beta,12alpha-diol;Solanid-5-en-3.beta.,12.alpha.-diol;Solanid-5-ene-3.beta.,12.alpha.-diol;delta-5-3beta,12alpha-dihydroxysolanidene;delta-5-3-beta,12alpha-dihydroxysolanidene;(3-beta,12-alpha)-Solanid-5-ene-3,12-diol;Solanid-5-ene-3,12-diol, (3-beta,12-alpha)-;RUBIJERVINE [MI];Rubijervine (Rubigervine);Solanid-5-ene-3,12-diol, (3.beta.,12.alpha.)-;SCHEMBL674130;CHEMBL1993702;DTXSID901016584;NCI60_041674;(3Beta,12alpha)-solanid-5-ene-3,12-diol;Solanid-5-ene-3, (3.beta.,12.alpha.)-;Q27287812;WLN: T H6 F5 E5 B666 MN SUTJ A1 E1 GQ G1 K1 VQ

Chemical Property of Rubijervine

Chemical Property:

• Vapor Pressure: 8.94E-14mmHg at 25°C
• Melting Point: 240-246°
• Refractive Index: 1.6400 (estimate)
• Boiling Point: 537.1°C at 760 mmHg
• Flash Point: 251.5°C
• PSA: 43.70000
• Density: 1.15g/cm³
• LogP: 4.56370
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 413.329379614
• Heavy Atom Count: 30
• Complexity: 749

Purity/Quality:

99%, ^*data from raw suppliers

RUBIJERVINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C
• Isomeric SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C
• Description: First isolated by Wright and Luff from Veratrum album and V. viride, the original formula of C26H4302N was altered by Jacobs and Craig to that given above. The base crystallizes from aqueous EtOH or Me2CO as the monohydrate. It has [α]D + 19° (EtOH) and is a tertiary base, both oxygen atoms being in the form of non-phenolic hydroxyl groups. The hydrobromide has m.p. 265-270°C; the hydriodide, m.p. 293-6°C (26l-2°C); the diacetyl derivative has m.p. l60-3°C and the p-bromobenzoyl compound melts at 254-6°C (dec.). On catalytic hydrogenation it yields the dihydro derivative, m.p. 222°C from which a diacetyl compound, m.p. 2l6-9°C may be prepared. Selenium dehydrogenation of the base at 340°C furnishes 5-methyl-2- ethylpyridine and a high proportion of a hydrocarbon, C18H16, m.p. 74-7°C which yields a picrate, m.p. 131-2°C and a syrn-trinitrobenzene additive compound, m.p. l44-5°C. The alkaloid undergoes the usual sterol reactions, e.g. the Oppenauer process gives a ketone, rubijervone, m.p. 205-9°C; [α]30D + 100° (EtOH) which is reduced by sodium isopropoxide to the corresponding epimeric alcohols. The earlier structure has been revised to 22G'H, 25{3H-solanid- 5-en-3{3,12G'-diol.

Technology Process of Rubijervine

There total 1 articles about Rubijervine 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:

→ rubijervine (79-58-3)

Guidance literature:

Reference yield:

rubijervine (79-58-3) → 15-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene (98472-25-4)

Guidance literature:

With selenium; at 340 ℃;

Reference yield:

rubijervine (79-58-3) → 12α-hydroxy-solanid-4-en-3-one

Guidance literature:

With carbon dioxide; copper; at 290 ℃;

Downstream raw materials:

3β,12α-bis-((Ξ)-2-methyl-butyryloxy)-solanid-5-ene

3β,12α-bis-propionyloxy-solanid-5-ene

3β,12α-diacetoxy-solanid-5-ene

15-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene

Refernces