8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-

Base Information

• Chemical Name: 8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-
• CAS No.: 81542-94-1
• Molecular Formula: C₃₁H₄₀O₈
• Molecular Weight: 540.654
• Nikkaji Number: J128.345F
• Wikidata: Q104252952
• Mol file: 81542-94-1.mol

Synonyms:Euphoscopin A;81542-94-1;8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-

Chemical Property of 8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-

Chemical Property:

• Vapor Pressure: 2.52E-16mmHg at 25°C
• Boiling Point: 621.8°C at 760 mmHg
• Flash Point: 192.1°C
• PSA: 116.20000
• Density: 1.19g/cm³
• LogP: 4.60010
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 540.27231823
• Heavy Atom Count: 39
• Complexity: 1000

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C=CC(C2OC(=O)C)C)(C)C)O)C)OC(=O)C
• Isomeric SMILES: C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(\[C@@H](CC(=O)C(/C=C\[C@H]([C@H]2OC(=O)C)C)(C)C)O)/C)OC(=O)C

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