20-Deoxyingenol

Catalog	BBC54706999
CAS	54706-99-9
Structure
Synonyms	(1aR,10aα)-1a,2,5,5a,6,9,10,10a-Octahydro-5β,5aβ,6β-trihydroxy-1,1,4,7,9α-pentamethyl-1H-2α,8aα-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one
IUPAC Name	(1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
Molecular Weight	332.43
Molecular Formula	C20H28O4
Canonical SMILES	C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)C
InChI	InChI=1S/C20H28O4/c1-9-6-12-14-13(18(14,4)5)7-11(3)19(17(12)23)8-10(2)16(22)20(19,24)15(9)21/h6,8,11-16,21-22,24H,7H2,1-5H3/t11-,12+,13-,14+,15-,16+,19+,20+/m1/s1
InChI Key	FOSYZKSOJUQLTD-NHPMXQBPSA-N
Melting Point	208-209 °C
Purity	98%
Density	1.26±0.1 g/ml
Appearance	Solid
pKa	12.21±0.70