Isochondrodendrine

Base Information

• Chemical Name: Isochondrodendrine
• CAS No.: 477-62-3
• Molecular Formula: C₃₆H₃₈N₂O₆
• Molecular Weight: 594.708
• European Community (EC) Number: 207-517-2
• NSC Number: 77035
• UNII: RZ4K59A9CN
• DSSTox Substance ID: DTXSID20197249
• Nikkaji Number: J37.073H
• Wikidata: Q27106971
• Metabolomics Workbench ID: 122485
• ChEMBL ID: CHEMBL1169628
• Mol file: 477-62-3.mol

Synonyms:Isochondrodendrine;Isochondodendrine;477-62-3;Isobebeerine;d-Isochondrodendrine;Isobebeerin;Isochondodendrin;Isochondrodendrin;O7,O7'-Didemethylcycleanine;(R,R)-Isochondodendrine;d-Isochondodendrine;EINECS 207-517-2;NSC 77035;UNII-RZ4K59A9CN;RZ4K59A9CN;O(sup 7),O(sup 7')-Didemethylcycleanine;CHEBI:5996;Cycleanine, O7,O7'-didemethyl-;NSC-77035;Cycleanine, O(sup 7),O(sup 7')-didemethyl-;(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol;(+)-Isobebeerine;Cycleanine,O7'-didemethyl-;(+)-ISOCHONDRODENDRINE;CHONDODENDRINE (D-ISO);ISOCHONDRODENDRINE [MI];(R,R)-ISOCHONDRODENDRINE;CHEMBL1169628;DTXSID20197249;ISOCHONDRODENDRINE, (+)-;HY-N5017;NSC77035;AKOS040733467;LS-55802;XI172997;CS-0032080;C09543;Q27106971;(12AR,24AR)-2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-IJ)DIISOQUINOLINE-6,18-DIOL;8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-I'J')DIISOQUINOLINE-6,18-DIOL, 2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-, (12AR,24AR)-

Chemical Property of Isochondrodendrine

Chemical Property:

• Vapor Pressure: 1.28E-19mmHg at 25°C
• Melting Point: 316 °C (decomp)
• Boiling Point: 689°C at 760 mmHg
• PKA: 9.10±0.20(Predicted)
• Flash Point: 370.5°C
• PSA: 83.86000
• Density: 1.239g/cm³
• LogP: 6.43220
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 594.27298694
• Heavy Atom Count: 44
• Complexity: 866

Purity/Quality:

≥98% ^*data from raw suppliers

ISOCHONDRODENDRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC
• Isomeric SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC

Technology Process of Isochondrodendrine

There total 3 articles about Isochondrodendrine 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: 20.1%

(-)-cycleanine (518-94-5,10438-14-9,18210-67-8,30745-31-4,68778-89-2) → (R,R)-isochondodendrine (477-62-3,11014-20-3)

Guidance literature:

With methanesulfonic acid; DL-methionine; for 24h; Ambient temperature;

DOI:10.3987/COM-91-5947

Reference yield:

→ (R,R)-isochondodendrine (477-62-3,11014-20-3)

Guidance literature:

DOI:10.1007/BF00570233

Reference yield:

→ isochondodendrine (477-62-3,11014-20-3)

Guidance literature:

Cycleanin I, Pyridin*HCl, Ethylenglykol;

DOI:10.1007/BF00569586

upstream raw materials:

(-)-cycleanine

Downstream raw materials:

armepavine

p-cresol

(-)-cycleanine

Refernces