Chemical Property of (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Chemical Property:
- Vapor Pressure:1.07E-30mmHg at 25°C
- Boiling Point:814.1°Cat760mmHg
- Flash Point:251.7°C
- PSA:194.21000
- Density:1.37g/cm3
- LogP:2.70480
- XLogP3:2.1
- Hydrogen Bond Donor Count:7
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:5
- Exact Mass:650.36661253
- Heavy Atom Count:46
- Complexity:1290
- Purity/Quality:
-
95%-98% *data from raw suppliers
Esculentoside E *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O
- Isomeric SMILES:C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O