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14464-90-5 | 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-, (1S,2R,3R)-
CAS No: 14464-90-5 Catalog No: AG001JX7 MDL No:MFCD20260732
Product Description
Catalog Number:
AG001JX7
Chemical Name:
2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-, (1S,2R,3R)-
CAS Number:
14464-90-5
Molecular Formula:
C22H28O8
Molecular Weight:
420.4529
MDL Number:
MFCD20260732
IUPAC Name:
(6R,7R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
InChI:
InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m0/s1
InChI Key:
ZDVZKBOFCHOPLM-SUNYJGFJSA-N
SMILES:
OC[C@@H]1Cc2cc(OC)c(c(c2[C@@H]([C@H]1CO)c1cc(OC)c(c(c1)OC)O)OC)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
420.178g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
420.458g/mol
Monoisotopic Mass:
420.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Bioactive neolignans and lignans from the bark of Machilus robusta. | Journal of natural products 20110624 |
| Biological evaluation of phenolic constituents from the trunk of Berberis koreana. | Bioorganic & medicinal chemistry letters 20110415 |
| [Study on chemical constituents from leaves of Tripterygium wilfordii]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110401 |
| Comparison and characterization of the antioxidant potential of 3 wild grapes--Vitis thunbergii, V. flexuosa, and V. kelungeusis. | Journal of food science 20110101 |
| Two new compounds from the dried tender stems of Cinnamomum cassia. | Journal of Asian natural products research 20090901 |
| [Lignans from stems of Sambucus williamsii]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090501 |
| Antioxidant and cytoprotective compounds from Berberis vulgaris (barberry). | Phytotherapy research : PTR 20080701 |
| [Studies on the chemical constituents in vine stem of Bauhinia championii (I)]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050101 |
| Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis. | Journal of natural products 20030901 |
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