Gestodene

Chemical Properties

Melting point	190-192°C
Boiling point	462.7±45.0 °C(Predicted)
Density	1.15±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Store in freezer, under -20°C
solubility	DMSO: >20mg/mL
pka	12.16±0.40(Predicted)
form	powder
color	white to off-white
optical activity	[α]/D -175 to -195° (DCM)
λmax	240nm(MeOH)(lit.)
Merck	14,4413
InChI	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey	SIGSPDASOTUPFS-XUDSTZEESA-N
SMILES	C1C[C@]2([H])[C@@]3([H])CC[C@]4(CC)[C@@](C#C)(O)C=C[C@@]4([H])[C@]3([H])CCC2=CC1=O
CAS DataBase Reference	60282-87-3(CAS DataBase Reference)