[(3R,4S)-2,2-dimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate

Update Time: 2025-04-25 16:57:08

	Common Name	[(3R,4S)-2,2-dimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate	English Name	[(3R,4S)-2,2-dimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate
	CAS NO.	N/A	Molecular Weight	426.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₂₆O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(3R,4S)-2,2-dimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate

Molecular Formula	C24H26O7
Molecular Weight	426.5
Exact Mass	426.16785316
LogP	4.30
Standard SMILES	CC=C(C)C(=O)OC1c2cc3ccc(=O)oc3cc2OC(C)(C)C1OC(=O)C(C)=CC
Canonical SMILES	CC=C(C)C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C(=CC)C
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1[C@H](C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)/C(=C\C)/C
Standard InChI Identifier	InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-16-11-15-9-10-19(25)28-17(15)12-18(16)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21+/m0/s1
Standard InChI Key	LBKPHBYDOWPFMZ-HBHSZDAZSA-N
Compound Complexity	835.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：31 Total Chiral Atom Count：2 Defined Chiral Atom Count：2 Undefined Chiral Atom Count：0 Total Chiral Bond Count：2 Defined Chiral Bond Count：2 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：426.16785316