(+)-syringaresinol

(+)-syringaresinol

CAS: 21453-69-0

Formula: C22H26O8

SMILES: [H][C@]12CO[C@H](C3=CC(OC)=C(O)C(OC)=C3)[C@@]1([H])CO[C@@H]2C1=CC(OC)=C(O)C(OC)=C1

IUPAC: 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol

InChI: InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21-,22-/m1/s1

Composition: C (63.15%), H (6.26%), O (30.59%)

Molar Mass: 418.442

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	(+)-syringaresinol; (-) syringaresinol; syringa-resinol
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	418.162767797
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	KOWMJRJXZMEZLD-HCIHMXRSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.03
Topological Polar Surface Area	95.84
Polarizability	42.25
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.5%	<7 Days	21453-69-0		$420.75-$2,244.00$420.75$1,355.75$2,244.00