ChemicalBook--->CAS DataBase List--->101020-89-7

101020-89-7

101020-89-7 Structure

101020-89-7 Structure
IdentificationBack Directory
[Name]

artemisitene
[CAS]

101020-89-7
[Synonyms]

Artemisiten
artemisitene
Dehydroqinghaosu
Methyl Artemisinin
ArteMisitene (Methyl ArteMisinin)
(3R,5aS,6R,8aS,12S,12aR)-Octahydro-3,6-diMethyl-9-Methylene-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6-dimethyl-9-methylene-, (3R,5aS,6R,8aS,12S,12aR)-
Artemisinin and Piperaquine Tablets Impurity Ⅰ:(artemisitene)(3R,5aS,6R,8aS,12S,12aR)-Octahydro-3,6-diMethyl-9-Methylene-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-oneChemicalBook
Artemisinin and Piperaquine Tablets Impurity Ⅰ:(artemisitene)(3R,5aS,6R,8aS,12S,12aR)-Octahydro-3,6-diMethyl-9-Methylene-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-oneChemicalBook
[Molecular Formula]

C15H20O5
[MDL Number]

MFCD19443385
[MOL File]

101020-89-7.mol
[Molecular Weight]

280.32
Chemical PropertiesBack Directory
[Melting point ]

160-162°C
[Boiling point ]

417.5±45.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1
[InChIKey]

IGEBZMMCKFUABB-KPHNHPKPSA-N
[SMILES]

O1[C@]23[C@@]4([H])O[C@@](C)(CC[C@@]2([H])[C@H](C)CC[C@@]3([H])C(=C)C(=O)O4)O1
[LogP]

0.733 (est)
Hazard InformationBack Directory
[Uses]

Artemisitene, the oxidized form of Artemisinin (A777500), exists as a minor constituent in an American variant of Artemisia annua. Artemisinin precursors are the important basic substances for biosynthesis of Artemisinin, including Artemisinic acid, Artemisinin B, Artemisitene, etc. An antimalarial agent.
[in vivo]

In Nrf2 wild-type mice, systemic administration of Artemisitene (5-10 mg/kg; i.p.) strongly inhibits bleomycin-induced lung damage[1].

Spectrum DetailBack Directory
[Spectrum Detail]

artemisitene(101020-89-7)1HNMR
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