CID 156094

Deoxyartemsinin

Structural Information

Molecular Formula
C15H22O4
SMILES
C[C@@H]1C=C[C@@H]2[C@H](C(=O)O[C@@H]3C2[C@H]1CC[C@@](O3)(C)O)C
InChI
InChI=1S/C15H22O4/c1-8-4-5-11-9(2)13(16)18-14-12(11)10(8)6-7-15(3,17)19-14/h4-5,8-12,14,17H,6-7H2,1-3H3/t8-,9-,10+,11-,12?,14+,15+/m1/s1
InChIKey
ZHHCFKHSMKRNCX-CRBWWJEESA-N
Compound name
(1R,4R,5S,8R,9S,12S)-12-hydroxy-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradec-6-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 159.5
[M+Na]+ 289.14102 168.7
[M+NH4]+ 284.18562 168.2
[M+K]+ 305.11496 163.5
[M-H]- 265.14452 162.9
[M+Na-2H]- 287.12647 160.7
[M]+ 266.15125 161.9
[M]- 266.15235 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.