CAS No.548-29-8,(+)-ISOLARICIRESINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	548-29-8
Name:	(+)-ISOLARICIRESINOL
Article Data:	9

Formula:	C₂₀H₂₄O₆
Molecular Weight:	360.407
Synonyms:	2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, [1S-(1a,2b,3a)]- (8CI);Isolariciresinol (6CI);(+)-Cyclolariciresinol;(+)-Isolariciresinol;Cyclolariciresinol;Isolariciresinol, (+)-;α-Conidendryl alcohol;(6R,7R,8S)-8-(4-hydroxy-3-Methoxy-phenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol;
Density:	1.275±0.06 g/cm3(Predicted)
Melting Point:	112 °C
Boiling Point:	584.1±50.0 °C(Predicted)
PSA:	99.38000
LogP:	2.02000

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Specification

The 2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-,(1S,2R,3R)-, with the CAS registry number 548-29-8, is also known as (+)-Isolariciresinol. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₂₀H₂₄O₆ and molecular weight is 360.4. What's more, its IUPAC Name is (6R,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.

Physical properties of 2,3-Naphthalenedimethanol,1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-,(1S,2R,3R)- are: (1)XLogP3-AA: 2; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 5; (5)Tautomer Count: 203; (6)Exact Mass: 360.157289; (7)MonoIsotopic Mass: 360.157289; (8)Topological Polar Surface Area: 99.4; (9)Heavy Atom Count: 26; (10)Formal Charge: 0; (11)Complexity: 446; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 3; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 4; (19)Feature 3D Donor Count: 4; (20)Feature 3D Ring Count: 3; (21)Effective Rotor Count: 5.8; (22)Conformer Sampling RMSD: 0.8; (23)CID Conformer Count: 22.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
(2)InChI: InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
(3)InChIKey: OGFXBIXJCWAUCH-KPHUOKFYSA-N