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Dihydro Artemisinin Dimer

CAT: 1299-RM-A178205-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A178205-01Size:10 mg
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CAS Number
150358-71-7
Synonyms
(3R,3'R,5aS,5a'S,6R,6'R,8aS,8a'S,9R,9'R,10S,10'S,12R,12aR,12'R,12a'R) -10,10'-oxybis (3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene)
Molecular Formula
C30H46O9
Molecular Weight
550.69
Target Alternative Name
Artemisinin

Chemical Information

Dihydro Artemisinin Dimer
CAS Number150358-71-7
PubChem CID44564070
IUPAC Name(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Molecular FormulaC30H46O9
Molecular Weight550.7
XLogP6
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity919
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C)C
InChI
InChI=1S/C30H46O9/c1-15-7-9-21-17(3)23(32-25-29(21)19(15)11-13-27(5,34-25)36-38-29)31-24-18(4)22-10-8-16(2)20-12-14-28(6)35-26(33-24)30(20,22)39-37-28/h15-26H,7-14H2,1-6H3/t15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-/m1/s1
InChIKey
DFPBBOCDGYBNBR-TZOIZJCJSA-N
Chemical Structure
2D Structure
2D structure of Dihydro Artemisinin Dimer
CAS: 150358-71-7
CID: 44564070
Formula: C30H46O9
MW: 550.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.7
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass550.31418304
Monoisotopic Mass550.31418304
Topological Polar Surface Area83.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
163828Dihydro Artemisinin Dimer
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AR-A02573-01Dihydro Artemisinin (a, ? Mixture)
YHA81795-01Dihydro artemisinin tetrahydrofuran acetate
TRC-D448363-10MGDihydro Artemisinin-13C,d4
D465985Dihydro Artemisinin-13C,d5
TRC-H934950-25MG3-Hydroxy Deoxy Dihydro Artemisinin
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