Chemical Property of (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Chemical Property:
- Boiling Point:1004.8°Cat760mmHg
- Flash Point:561.5°C
- PSA:277.91000
- Density:1.38g/cm3
- LogP:0.61230
- XLogP3:2
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:17
- Rotatable Bond Count:11
- Exact Mass:916.53955108
- Heavy Atom Count:64
- Complexity:1650
- Purity/Quality:
-
99% *data from raw suppliers
CHIKUSETSUSAPONIN III 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CC2C(CC(C3C2(CCC3C(C)(CCC=C(C)C)O)C)O)C4(C1C(C(CC4)C5(C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)(C)C)C
- Isomeric SMILES:CC1CC2C(C[C@@H](C3[C@@]2(CC[C@@H]3[C@](C)(CCC=C(C)C)O)C)O)[C@@]4(C1C(C(CC4)[C@@]5([C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)(C)C)C