(6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate

Base Information

• Chemical Name: (6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate
• CAS No.: 72229-35-7
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.422
• DSSTox Substance ID: DTXSID90563932
• NSC Number: 321471
• Mol file: 72229-35-7.mol

Synonyms:72229-35-7;DTXSID90563932;NSC321471;NSC-321471;(6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate;EM2 - FROM FLORIDA STATE UNIVERSITY

Chemical Property of (6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.26E-15mmHg at 25°C
• Boiling Point: 575.2°Cat760mmHg
• Flash Point: 202°C
• Density: 1.29g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 378.16785316
• Heavy Atom Count: 27
• Complexity: 722

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(O1)(CO)C(=O)OC2CC(=CC(CC(=CC3C2C(=C)C(=O)O3)C)O)C
• Isomeric SMILES: CC1C(O1)(CO)C(=O)OC2C/C(=C/C(C/C(=C/C3C2C(=C)C(=O)O3)/C)O)/C