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101205-03-2 | 3-Furanmethanol, 5-(1,3-benzodioxol-5-yl)-α-(3,4-dimethoxyphenyl)tetrahydro-4-methyl-, (αR,3R,4S,5S)-
CAS No: 101205-03-2 Catalog No: AG0003YE MDL No:
Product Description
Catalog Number:
AG0003YE
Chemical Name:
3-Furanmethanol, 5-(1,3-benzodioxol-5-yl)-α-(3,4-dimethoxyphenyl)tetrahydro-4-methyl-, (αR,3R,4S,5S)-
CAS Number:
101205-03-2
Molecular Formula:
C21H24O6
Molecular Weight:
372.4117
IUPAC Name:
(R)-[(3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-methyloxolan-3-yl]-(3,4-dimethoxyphenyl)methanol
InChI:
InChI=1S/C21H24O6/c1-12-15(20(22)13-4-6-16(23-2)18(8-13)24-3)10-25-21(12)14-5-7-17-19(9-14)27-11-26-17/h4-9,12,15,20-22H,10-11H2,1-3H3/t12-,15-,20-,21-/m0/s1
InChI Key:
IFIWTPAIQQQGOD-WAQNEXLBSA-N
SMILES:
COc1cc(ccc1OC)[C@@H]([C@H]1CO[C@@H]([C@H]1C)c1ccc2c(c1)OCO2)O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
372.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.417g/mol
Monoisotopic Mass:
372.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| First stereoselective synthesis of (+)-magnostellin C, a tetrahydrofuran type of lignan bearing a chiral secondary benzyl alcohol. | Bioscience, biotechnology, and biochemistry 20010701 |
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