(1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione

Base Information

• Chemical Name: (1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione
• CAS No.: 55945-73-8
• Molecular Formula: C32H36 N2 O5
• Molecular Weight: 528.648
• Wikidata: Q105105550
• Mol file: 55945-73-8.mol

Synonyms:(1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione;55945-73-8;[13]Cytochalasa-6(12),13,17,21-tetraene-1,20,23-trione, 7,19-dihydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-, (7S,13E,16S,17E,19R,21E)-;NCGC00380709-01

Chemical Property of (1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione

Chemical Property:

• Vapor Pressure: 1.9E-28mmHg at 25°C
• Boiling Point: 820°C at 760 mmHg
• Flash Point: 449.7°C
• PSA: 122.98000
• Density: 1.29g/cm³
• LogP: 3.86790
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 528.26242225
• Heavy Atom Count: 39
• Complexity: 1120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC=CC2C(C(=C)C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)O
• Isomeric SMILES: C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)O

Technology Process of (1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione

There total 1 articles about (1R,3E,6R,7Z,9S,11E,13R,14S,16S,17R,18S)-6,14-Dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione 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:

(7S,13E,16S,17E,19R,21E)-6,7-epoxy-19-hydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-<13>cytochalasa-13,17,21-triene-1,20,23-trione, (chaetoglobosin A) (50335-03-0) → (7S,13E,16S,17E,19R,21E)-7,19-dihydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-<13>cytochalasa-6(12),13,17,21-tetraene-1,20,23-trione, (chaetoglobosin D) (55945-73-8) + (3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-3-((1H-indol-3-yl)methyl)-6,13-dihydroxy-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione (50335-04-1)

Guidance literature:

With boron trifluoride diethyl etherate; for 0.0833333h; Ambient temperature;

DOI:10.1248/cpb.30.1618

upstream raw materials:

(7S,13E,16S,17E,19R,21E)-6,7-epoxy-19-hydroxy-10-(1H-indol-3-yl)-16,18-dimethyl-<13>cytochalasa-13,17,21-triene-1,20,23-trione, (chaetoglobosin A)