113082-99-8

Name (5E)-Calcipotriene
CAS 113082-99-8
Molecular Formula C27H40O3
Molecular Weight 412.6
MOL File 113082-99-8.mol

Chemical Properties

Boiling point  582.0±50.0 °C(Predicted)
density  1.12
storage temp.  4°C, protect from light, stored under nitrogen
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 14.29±0.20(Predicted)
color  White to Off-White
Stability: Light Sensitive, Temperature Sensitive
Major Application pharmaceutical (small molecule)
InChIKey LWQQLNNNIPYSNX-LFDOYIGJSA-N
SMILES [C@H]1(O)C/C(=C\C=C2/CCC[C@@]3(C)[C@@]/2([H])CC[C@@H]3[C@H](C)/C=C/[C@H](C2CC2)O)/C(=C)[C@@H](O)C1

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H300
Precautionary statements  P264-P301+P310
WGK Germany  WGK 3
HS Code  2906195000
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral

Hazard Information

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