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101927-24-6 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, docosyl ester, (2E)-
CAS No: 101927-24-6 Catalog No: AG0005Y8 MDL No:
Product Description
Catalog Number:
AG0005Y8
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, docosyl ester, (2E)-
CAS Number:
101927-24-6
Molecular Formula:
C32H54O4
Molecular Weight:
502.7688
IUPAC Name:
docosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3
InChI Key:
USNYNNITUQSEEV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O
UNII:
A2T8GNE262
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.402g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
502.78g/mol
Monoisotopic Mass:
502.402g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.8
Literature
| Title | Journal |
|---|---|
| A new diarylheptanoid from the rhizomes of Zingiber mekongense. | Fitoterapia 20110601 |
| [Chemical constituents from tubers of Dioscorea bulbifera]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090701 |
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