6199-67-3

Name CUCURBITACIN B
CAS 6199-67-3
Molecular Formula C32H46O8
MDL Number MFCD07778083
Molecular Weight 558.7
MOL File 6199-67-3.mol
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Chemical Properties

Melting point  184-186°
alpha  D25 +88° (c = 1.55 in ethanol)
Boiling point  546.74°C (rough estimate)
density  1.0953 (rough estimate)
refractive index  1.4900 (estimate)
storage temp.  2-8°C
solubility  DMSO: soluble10mg/mL, clear
form  powder
pka 12.60±0.29(Predicted)
color  white to beige
λmax 290nm(EtOH)(lit.)
Merck  14,2614
Stability: Hygroscopic
Cosmetics Ingredients Functions SKIN CONDITIONING
InChIKey IXQKXEUSCPEQRD-ALLWXVAWSA-N
SMILES CC1(C)C([C@@H](O)C[C@]2([H])C1=CC[C@]([C@@](C[C@@H](O)[C@]3([H])[C@@](C)(O)C(/C=C/C(C)(C)OC(C)=O)=O)(C)[C@]3(C)C4)([H])[C@@]2(C)C4=O)=O

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGI
WGK Germany  3
RTECS  RC6190000
HazardClass  6.1
PackingGroup  II
HS Code  29153900
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral
Hazardous Substances Data 6199-67-3(Hazardous Substances Data)
Toxicity
LD10 orally in mice: 5 mg/kg (LeMen)

Hazard Information

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