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 156.8
[M+Na]+ 289.14102 162.4
[M-H]- 265.14452 162.2
[M+NH4]+ 284.18562 173.8
[M+K]+ 305.11496 165.0
[M+H-H2O]+ 249.14906 152.5
[M+HCOO]- 311.15000 167.7
[M+CH3COO]- 325.16565 199.6
[M+Na-2H]- 287.12647 161.5
[M]+ 266.15125 153.4
[M]- 266.15235 153.4
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.