Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one

Base Information

• Chemical Name: Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one
• CAS No.: 14110-71-5
• Molecular Formula: C29H39 N O5
• Molecular Weight: 481.632
• European Community (EC) Number: 237-965-4
• DSSTox Substance ID: DTXSID001045970
• Nikkaji Number: J216.870G
• Mol file: 14110-71-5.mol

Synonyms:14110-71-5;EINECS 237-965-4;3-benzyl-6,7a-dihydroxy-4-methyl-5-methylidene-7-[(E)-4-methyl-7-(5-oxooxolan-2-yl)hept-1-enyl]-2,3,3a,4,6,7-hexahydroisoindol-1-one;Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one;Octahydro-6,7a-dihydroxy-4-methyl-7-[4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl]-3-(phenylmethyl)-1H-isoindol-1-one;VJQJWFGRYRQFRH-RIYZIHGNSA-N;DTXSID001045970;AKOS024319543;DIHYDROCYTOCHALASIN B GAMMA-LACTONE;1H-Isoindol-1-one, octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furanyl)-1-heptenyl)-3-(phenylmethyl)-;3-benzyl-6,7a-dihydroxy-4-methyl-5-methylene-7-[(1E)-4-methyl-7-(5-oxotetrahydro-2-furanyl)-1-heptenyl]octahydro-1H-isoindol-1-one;Octahydro-6,7a-dihydroxy-4-methyl-5-methylene-7-[4-methyl-7-(tetrahydro-5-oxofuran-2-yl)-1-heptenyl]-3-(phenylmethyl)-1H-isoindol-1-one

Chemical Property of Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one

Chemical Property:

• Vapor Pressure: 7.36E-19mmHg at 25°C
• Boiling Point: 669.9°Cat760mmHg
• Flash Point: 358.9°C
• PSA: 99.35000
• Density: 1.19g/cm³
• LogP: 3.99200
• Storage Temp.: -20°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 481.28282334
• Heavy Atom Count: 35
• Complexity: 818

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(NC(=O)C2(C(C(C1=C)O)C=CCC(C)CCCC3CCC(=O)O3)O)CC4=CC=CC=C4
• Isomeric SMILES: CC1C2C(NC(=O)C2(C(C(C1=C)O)/C=C/CC(C)CCCC3CCC(=O)O3)O)CC4=CC=CC=C4

Technology Process of Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one

There total 2 articles about Octahydro-6,7a-dihydroxy-4-methyl-7-(4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl)-3-(phenylmethyl)-1H-isoindol-1-one 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:

→ (16R,20Ξ)-7β,9,20-trihydroxy-1-oxo-10-phenyl-9,23-seco-[23]cytochalasa-6(12),13t-dien-23-oic acid 20-lactone (14110-71-5)

Guidance literature:

Phomin oder Dodecahydrophomin, LiAlH4;

DOI:10.1007/BF01901360

Reference yield:

cytochalasin B (14930-96-2) → (16R,20Ξ)-7β,9,20-trihydroxy-16-methyl-1-oxo-10-phenyl-(4α)-9,23-seco-[13]cytochalasa-6(12),13t-dien-23-oic acid 20-lactone (14110-71-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1002/hlca.19700530404

Reference yield:

(16R,20Ξ)-7β,9,20-trihydroxy-1-oxo-10-phenyl-9,23-seco-[23]cytochalasa-6(12),13t-dien-23-oic acid 20-lactone (14110-71-5) → (16S,20Ξ)-10-cyclohexyl-7β,9,20-trihydroxy-1-oxo-(6ξH)-9,23-seco-[13]cytochalasan-23-oic acid 20-lactone

Guidance literature:

With hydrogen; platinum; In acetic acid;

DOI:10.1039/j39670001667

upstream raw materials:

cytochalasin B

Downstream raw materials:

(16R,20Ξ)-7β-acetoxy-9,20-dihydroxy-16-methyl-1-oxo-10-phenyl-9,23-seco-[13]cytochalasa-6(12),13t-dien-23-oic acid 20-lactone

(16R,20R)-6,7β,9,12,20-pentahydroxy-16-methyl-1-oxo-10-phenyl-(6ξH)-9,23-seco-[13]cytochalas-13t-en-23-oic acid 20-lactone

(13S,14S,16R,20R)-7β,9,13,14,20-pentahydroxy-16-methyl-1-oxo-10-phenyl-9,23-seco-[13]cytochalas-6(12)-en-23-oic acid 20-lactone

Refernces