Acevaltrate

Catalog	BBC25161415
CAS	25161-41-5
Synonyms	8-Dimethoxypsoralen
IUPAC Name	[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
Molecular Weight	480.5
Molecular Formula	C24H32O10
Canonical SMILES	CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C
InChI	InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChI Key	FWKBQAVMKVZEOT-STCFVSJZSA-N
Boiling Point	538.7±50.0 °C
Melting Point	80-81 °C
Purity	98%
Density	1.26 g/ml
Appearance	Powder