Artemisinin

enlarge

Systematic / IUPAC Name: (1R,4S,5R,8S,9R,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13 08,13]hexadecan-10-one

ID: Reference6160

Other Names: Huanghuahaosu;
QHS;
Qing hau SU;
Qinghaosu;
(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one ; more

Formula: C15H22O5

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Artemisinin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3650
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/12/2016 9:10:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChI Key BLUAFEHZUWYNDE-NNWCWBAJSA-N
Canonical SMILES CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C
CAS 63968649
Splash
Other Names Huanghuahaosu;
QHS;
Qing hau SU;
Qinghaosu;
(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one;
(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one;
(3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one ;
(5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one;
1,5,9-Trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one;
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-;
Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one

In Other Databases

ChEBI CHEBI:223316
PubChem 68827
Wikipedia Artemisinin
KEGG C09538; D02481
ChemIDPlus 063968649
ChemSpider 62060