Metabolite Alpha-dihydroartemisinin

Name

Alpha-dihydroartemisinin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 284.3481
Monoisotopic: 284.162373878

Chemical Formula

C₁₅H₂₄O₅

InChI Key

BJDCWCLMFKKGEE-KXTPALSWSA-N

InChI

InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14?,15-/m1/s1

IUPAC Name

(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol

SMILES

C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-05r0-5090000000-2c3d5f82fba0d14e9a07
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-1412d3d238b936ec73a6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-6e74ddb2006e53aa0596
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-f0a0d6214bbfd1ab8fe8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-1090000000-58eb6366b612d976e92e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-056u-1090000000-15be1ca67e2778e6ccc3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a7i-2090000000-96d83f23d29667d87ad4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	166.0831531	predicted	DarkChem Lite v0.1.0
[M-H]-	169.8745	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.2929531	predicted	DarkChem Lite v0.1.0
[M+H]+	172.27007	predicted	DeepCCS 1.0 (2019)
[M+Na]+	166.2836531	predicted	DarkChem Lite v0.1.0
[M+Na]+	178.1826	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties