Spiro(azuleno(4,5-b)furan-3(2H),10'-(4H-6a,9)ethanoazuleno(4,5-b)furan)-2,2'(3'H)-dione, 4-(acetyloxy)-3a,3'a,4,5,5',6,6',6a,7,9',9a,9'a,9b,9'b-tetradecahydro-6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-, (3'aS-(3'aalpha,6'alpha,6'aa lpha,9'alpha,9'aalpha,9'bbeta,10'S*(3aS*,4R*,6S*,6aS*,9aS*,9bS*)))-

Base Information

• Chemical Name: Spiro(azuleno(4,5-b)furan-3(2H),10'-(4H-6a,9)ethanoazuleno(4,5-b)furan)-2,2'(3'H)-dione, 4-(acetyloxy)-3a,3'a,4,5,5',6,6',6a,7,9',9a,9'a,9b,9'b-tetradecahydro-6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-, (3'aS-(3'aalpha,6'alpha,6'aa lpha,9'alpha,9'aalpha,9'bbeta,10'S*(3aS*,4R*,6S*,6aS*,9aS*,9bS*)))-
• CAS No.: 62687-22-3
• Molecular Formula: C32H40O8
• Molecular Weight: 552.6552
• DSSTox Substance ID: DTXSID40978294
• Wikidata: Q72481053
• Mol file: 62687-22-3.mol

Synonyms:handelin;ye ju-hua;yejuhua lactone

Chemical Property of Spiro(azuleno(4,5-b)furan-3(2H),10'-(4H-6a,9)ethanoazuleno(4,5-b)furan)-2,2'(3'H)-dione, 4-(acetyloxy)-3a,3'a,4,5,5',6,6',6a,7,9',9a,9'a,9b,9'b-tetradecahydro-6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-, (3'aS-(3'aalpha,6'alpha,6'aa lpha,9'alpha,9'aalpha,9'bbeta,10'S*(3aS*,4R*,6S*,6aS*,9aS*,9bS*)))-

Chemical Property:

• Boiling Point: 729.3°Cat760mmHg
• PKA: 14.34±0.70(Predicted)
• Flash Point: 235.6°C
• PSA: 119.36000
• Density: 1.34g/cm³
• LogP: 3.40820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 552.27231823
• Heavy Atom Count: 40
• Complexity: 1320

Purity/Quality:

≥98% ^*data from raw suppliers

Handelin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC2C1C3C(CC(C2(C)O)OC(=O)C)C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3
• Isomeric SMILES: CC1=CCC2C1[C@@H]3C(C[C@H]([C@@]2(C)O)OC(=O)C)C4(CC56C=CC4(C5[C@@H]7C(CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3