60124-17-6

Name WITHASTRAMONOLIDE, 12-DEOXY-(SH)
CAS 60124-17-6
Molecular Formula C28H38O6
MDL Number MFCD06656333
Molecular Weight 470.6
MOL File 60124-17-6.mol
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Chemical Properties

Boiling point  668.3±55.0 °C(Predicted)
density  1.253
storage temp.  -20°C
solubility  DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
form  neat
pka 13.04±0.70(Predicted)
color  White to off-white
InChIKey AWVMHXZWAKRDGG-MEBIVHGNSA-N
SMILES O1[C@H](CC(=C(C1=O)CO)C)[C@H]([C@@H]2[C@@]3([C@H]([C@@H]4[C@@H]5O[C@@H]5[C@@]6([C@@]([C@H]4CC3)(C(=O)C=CC6)C)O)CC2)C)C

Safety Data

WGK Germany  3
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1

Hazard Information

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