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(1R,4S,5R,8S,9R,10S,12R,13R)-10-(2H3)methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
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ChemBase ID:
160814
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Molecular Formular:
C16H26O5
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Molecular Mass:
298.37464
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Monoisotopic Mass:
298.17802393
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SMILES and InChIs
SMILES:
[C@@H]1([C@H]2[C@@]34[C@@H](CC1)[C@H]([C@H](O[C@@H]3O[C@@](CC2)(OO4)C)OC)C)C
Canonical SMILES:
CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
InChI:
InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
InChIKey:
SXYIRMFQILZOAM-HVNFFKDJSA-N
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Cite this record
CBID:160814 http://www.chembase.cn/molecule-160814.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,4S,5R,8S,9R,10S,12R,13R)-10-(2H3)methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
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IUPAC Traditional name
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(1R,4S,5R,8S,9R,10S,12R,13R)-10-(2H3)methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
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Synonyms
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(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-(methoxy-d3)-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
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Decahydro-10-(methoxy-d3)-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
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Artemos-d3
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Artenam-d3
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Artesaph-d3
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Artesian-d3
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Dihydroartemisinin-d3 Methyl Ether
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Falcidol-d3
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Gvither-d3
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Larither-d3
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Malartem-d3
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SM 224-d3
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β-Artemether-d3
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β-Dihydroartemisinin-d3 Methyl Ether
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Artemether-d3
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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3.481392
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LogD (pH = 7.4)
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3.481392
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Log P
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3.481392
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Molar Refractivity
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74.6605 cm3
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Polarizability
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30.79904 Å3
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Polar Surface Area
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46.15 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Hombhanje, F., et al.: Pharma., 3, 3581 (2010)
- • Michael, O., et al.: Malaria J., 9, 335 (2010)
- • Cesar, I., et al.: J. Pharm. Biomed. Anal., 54, 114 (2010)
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PATENTS
PATENTS
PubChem Patent
Google Patent