Gelomulide B

Base Information

• Chemical Name: Gelomulide B
• CAS No.: 122537-60-4
• Molecular Formula: C22H28 O6
• Molecular Weight: 388.45400
• DSSTox Substance ID: DTXSID501099510
• Nikkaji Number: J1.178.529H
• Wikidata: Q110186719
• Mol file: 122537-60-4.mol

Synonyms:Gelomulide B;122537-60-4;[(1S,3R,8S,10S,11R,12R,15S,17S)-5,12,16,16-tetramethyl-6-oxo-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-15-yl] acetate;DTXSID501099510;AKOS032961880;(3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-3-(Acetyloxy)-1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethylbisoxireno[1,10a:3,4]phenanthro[3,2-b]furan-9(7aH)-one

Chemical Property of Gelomulide B

Chemical Property:

• Melting Point: 252℃
• Boiling Point: 540.4±50.0 °C(Predicted)
• PSA: 77.66000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 2.89020
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 388.18858861
• Heavy Atom Count: 28
• Complexity: 859

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

GelomulideB 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3C4(O3)CCC5C(C(CCC5(C4C6C2(O6)OC1=O)C)OC(=O)C)(C)C
• Isomeric SMILES: CC1=C2[C@@H]3[C@]4(O3)CC[C@H]5[C@]([C@@H]4[C@H]6[C@@]2(O6)OC1=O)(CC[C@@H](C5(C)C)OC(=O)C)C