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140455-97-6 | 2H-1-Benzopyran-7,8-diol, 3,4-dihydro-3-(2,4,5-trimethoxyphenyl)-, (3S)-
CAS No: 140455-97-6 Catalog No: AG001CGW MDL No:
Product Description
Catalog Number:
AG001CGW
Chemical Name:
2H-1-Benzopyran-7,8-diol, 3,4-dihydro-3-(2,4,5-trimethoxyphenyl)-, (3S)-
CAS Number:
140455-97-6
Molecular Formula:
C18H20O6
Molecular Weight:
332.3478
IUPAC Name:
3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol
InChI:
InChI=1S/C18H20O6/c1-21-14-8-16(23-3)15(22-2)7-12(14)11-6-10-4-5-13(19)17(20)18(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3
InChI Key:
ZRLWPQMAJQKTFX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1[C@H]1COc2c(C1)ccc(c2O)O)OC
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.352g/mol
Monoisotopic Mass:
332.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Ovarian stimulation modulates steroid receptor expression and spheroid attachment in peri-implantation endometria: studies on natural and stimulated cycles. | Fertility and sterility 20110901 |
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