Tigloylgomisin P

Base Information

• Chemical Name: Tigloylgomisin P
• CAS No.: 69176-51-8
• Molecular Formula: C₂₈H₃₄O₉
• Molecular Weight: 514.573
• UNII: 2VFX4QAR6A
• Nikkaji Number: J305.303B
• Wikidata: Q27255652
• Metabolomics Workbench ID: 129669
• ChEMBL ID: CHEMBL253907
• Mol file: 69176-51-8.mol

Synonyms:Tigloylgomisin P;69176-51-8;Tiglogomisin P;Schizandrer B;UNII-2VFX4QAR6A;2VFX4QAR6A;2-Butenoic acid, 2-methyl-, (5R,6R,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (2E)-;[(8R,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate;Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethyl-, 5-(2-methylcrotonate), stereoisomer;82078-76-0;Schisanhenrin;CHEMBL253907;HY-N7586;AKOS040760735;LS-33969;MS-29549;CS-0134318;E88928;Q27255652

Chemical Property of Tigloylgomisin P

Chemical Property:

• PSA: 101.91000
• LogP: 4.61040
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 514.22028266
• Heavy Atom Count: 37
• Complexity: 833

Purity/Quality:

≥98% ^*data from raw suppliers

TigloylgomisinP 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC
• Isomeric SMILES: C/C=C(\C)/C(=O)O[C@@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@@]1(C)O)C)OCO4)OC)OC)OC)OC