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1394-48-5 | Hetisan-2,11,13,14-tetrol, 2,13-diacetate, (2α,11α,13R)-
CAS No: 1394-48-5 Catalog No: AG001AY4 MDL No:MFCD01746793
Product Description
Catalog Number:
AG001AY4
Chemical Name:
Hetisan-2,11,13,14-tetrol, 2,13-diacetate, (2α,11α,13R)-
CAS Number:
1394-48-5
MDL Number:
MFCD01746793
IUPAC Name:
[(1S,3S,5S,8S,9R,11R,14R,16S,17R,18S,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
InChI:
InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14-,15+,16+,17+,18+,19?,20-,21+,22+,23-,24-/m0/s1
InChI Key:
OGNUSOJAYIHLNS-CGMBEVFJSA-N
Properties
Complexity:
966
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
429.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.513g/mol
Monoisotopic Mass:
429.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of GFA and its active metabolites in human plasma by liquid chromatography electrospray ionization mass spectrometry and its application to pharmacokinetic studies. | Journal of pharmaceutical and biomedical analysis 20080313 |
| Preparative isolation and purification of bioactive constituents from Aconitum coreanum by high-speed counter-current chromatography coupled with evaporative light scattering detection. | Journal of chromatography. A 20070316 |
| [Effect of Guanfu Base A in patients with ventricular arrhythmias]. | Zhonghua xin xue guan bing za zhi 20060401 |
| Identification of phase I and phase II metabolites of Guanfu base A hydrochloride in human urine. | European journal of drug metabolism and pharmacokinetics 20030101 |
| Identification of guanfu base A hydrochloride phase I and phase II metabolites in rat bile by liquid chromatography mass spectrometry. | Acta pharmacologica Sinica 20021101 |
| [Study on the metabolites of guanfu base A hydrochloride in rat urine by high performance liquid chromatograph-mass spectrum]. | Yao xue xue bao = Acta pharmaceutica Sinica 20020401 |
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