Chemical Property of (20-Ethyl-7,8,14-trihydroxy-1,6,16-trimethoxyaconitan-4-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Property:
- Vapor Pressure:1.02E-28mmHg at 25°C
- Boiling Point:823.6°Cat760mmHg
- Flash Point:451.9°C
- PSA:155.30000
- Density:1.41g/cm3
- LogP:1.38390
- XLogP3:0.5
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:9
- Exact Mass:668.33089573
- Heavy Atom Count:48
- Complexity:1360
- Purity/Quality:
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14-DEACETYLNUDICAULINE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
- Isomeric SMILES:CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@](C31)([C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C