2'-O-Methylkurarinone

Catalog	BBC270249382
CAS	270249-38-2
Structure
Synonyms	(2S)-2-Methoxykurarinone
IUPAC Name	(2S)-7-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
Molecular Weight	452.54
Molecular Formula	C27H32O6
Canonical SMILES	CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
InChI	InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1
InChI Key	KTAQQSUPNZAWEY-OSPHWJPCSA-N
Boiling Point	643.6±55.0 °C
Melting Point	112-115 °C
Purity	98%
Density	1.171±0.06 g/ml
Appearance	Solid
pKa	7.50±0.40