Chrystepin CH

Base Information

• Chemical Name: Chrystepin CH
• CAS No.: 80434-87-3
• Molecular Formula: C82H92ClN9O18S
• Molecular Weight: 1559.1754
• Mol file: 80434-87-3.mol

Synonyms:Chrystepin CH;Crystepin CH;80434-87-3;Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mixt. with 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide and (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione

Chemical Property of Chrystepin CH

Chemical Property:

• Boiling Point: 899.3°Cat760mmHg
• Flash Point: 497.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 17
• Exact Mass: 1557.5969560
• Heavy Atom Count: 111
• Complexity: 2770

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O
• Isomeric SMILES: CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O