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Hupehenine

CAS No.:
98243-57-3
Catalog Number:
AG019FS1
Molecular Formula:
C27H45NO2
Molecular Weight:
415.6517
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Product Description
Catalog Number:
AG019FS1
Chemical Name:
Hupehenine
CAS Number:
98243-57-3
Molecular Formula:
C27H45NO2
Molecular Weight:
415.6517
MDL Number:
MFCD07781416
IUPAC Name:
(1R,2S,6S,9S,10R,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
InChI:
InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChI Key:
NEMWYOKGHGSVSC-MSSYMPDSSA-N
SMILES:
O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C
Properties
Complexity:
667  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
13  
Defined Bond Stereocenter Count:
0
Exact Mass:
415.345g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
415.662g/mol
Monoisotopic Mass:
415.345g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Literature
Title Journal
Development and validation of a liquid chromatography-mass spectrometry method for the determination of verticinone in rat plasma and its application to pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100801
Analysis of hupehenine in the total alkaloids from Fritillaria hupehensis by HPLC-ELSD. Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban 20080201
Properties