2-Acetoxy-3-Deacetoxycaesaldekarin E

Catalog	BBC18326062
CAS	18326-06-2
Synonyms	Phenanthro[3,2-b]furan-1,2,4a(2H)-triol, 1,3,4,5,6,11b-hexahydro-4,4,7,11b-tetramethyl-, 1,2-diacetate, (1R,2S,4aR,11bS)-
IUPAC Name	[(1R,2S,4aR,11bS)-1-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate
Molecular Weight	414.49
Molecular Formula	C24H30O6
Canonical SMILES	CC1=C2CC[C@@]3([C@@](C2=CC4=C1C=CO4)([C@H]([C@H](CC3(C)C)OC(=O)C)OC(=O)C)C)O
InChI	InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21-,23-,24+/m0/s1
InChI Key	FETPRYGDJQBBEF-HIGZBPRKSA-N
Boiling Point	498.7±45.0 °C
Melting Point	191-192 °C
Purity	98%
Density	1.23±0.1 g/ml
Appearance	Solid
pKa	13.81±0.70