6-Acetyl-7-deacetylforskolin Structure

6-Acetyl-7-deacetylforskolin

Chemical Properties

Melting point 220-222 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
Boiling point 524.5±50.0 °C(Predicted)
Density  1.23±0.1 g/cm3(Predicted)
storage temp.  −20°C
solubility  Chloroform: Soluble; DMSO: Soluble
form  A solid
pka 11.03±0.70(Predicted)
color  White to off-white
optical activity [α]/D -8 to -5°, c =0.5 in chloroform-d
InChIKey CLOQVZCSBYBUPB-VDCUXWMXSA-N
SMILES CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)C13)C=C
FDA UNII 256AFQ3YUN
UNSPSC Code 41116107
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H312
Precautionary statements P280-P302+P352+P312-P362+P364-P501
Hazard Codes  Xn
Risk Statements  21
Safety Statements  36
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
NFPA 704:
0
1 0

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