Stegane

Base Information

• Chemical Name: Stegane
• CAS No.: 72258-40-3
• Molecular Formula: C₂₂H₂₂O₇
• Molecular Weight: 398.412
• NSC Number: 332035,332034,332033,332032,332031,332030
• DSSTox Substance ID: DTXSID50993014
• ChEMBL ID: CHEMBL152275
• Mol file: 72258-40-3.mol

Synonyms:stegane

Chemical Property of Stegane

Chemical Property:

• Boiling Point: 624°Cat760mmHg
• Flash Point: 272.9°C
• Density: 1.299g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 398.13655304
• Heavy Atom Count: 29
• Complexity: 612

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC

Technology Process of Stegane

There total 79 articles about Stegane 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: 100.0%

(-)-isostegane (61038-90-2,70051-17-1,70051-18-2,72258-40-3,72258-54-9,72657-29-5,72657-64-8,76250-31-2,92283-76-6,92283-77-7,96744-76-2,96744-77-3,96744-78-4,96744-79-5) → (+)-stegane (61038-90-2,70051-17-1,70051-18-2,72258-40-3,72258-54-9,72657-29-5,72657-64-8,76250-31-2,92283-76-6,92283-77-7,96744-76-2,96744-77-3,96744-78-4,96744-79-5)

Guidance literature:

In neat (no solvent); at 195 ℃; for 4h;

DOI:10.1016/0040-4039(80)88012-9

Reference yield: 92.0%

yatein (40456-50-6,17301-91-6,61091-56-3,72690-16-5,96745-44-7,119066-80-7,128049-89-8,139560-31-9) → trans-6-(hydroxymethyl)-10,11,12-trimethoxy-2,3-methylenedioxy-dibenzo[1a,4a:8a,12a]cyclooctadiene-7-carboxylic acid lactone (61038-90-2,70051-17-1,70051-18-2,72258-40-3,72258-54-9,72657-29-5,72657-64-8,76250-31-2,92283-76-6,92283-77-7,96744-76-2,96744-77-3,96744-78-4,96744-79-5)

Guidance literature:

With Fe⁽³⁺⁾*3ClO₄^(1-)*7H₂O=[Fe(ClO₄)3]*7H₂O; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.9b00065

Reference yield: 85.0%

(+/-)-8α-hydroxyisopicrostegane (69998-63-6,70051-15-9,70051-16-0) → (+/-)-picrostegane (61038-90-2,70051-17-1,70051-18-2,72258-40-3,72258-54-9,72657-29-5,72657-64-8,76250-31-2,92283-76-6,92283-77-7,96744-76-2,96744-77-3,96744-78-4,96744-79-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In perchloric acid; trifluoroacetic acid; at 40 ℃; for 24h; under 1500.1 Torr;

DOI:10.1016/S0040-4020(01)91503-0

upstream raw materials:

yatein

(3S,4S)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one

(3S,4S)-4-[(RS)-1-(1,3-benzodioxol-5-yl)-1-hydroxymethyl]-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanone

2-(3,4,5-trimethoxyphenyl)-1,3-dithiane

Downstream raw materials:

(-)-isopicrostegane

(+)-episteganacin

(+)-steganacin

(+/-)-picrostegane