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]+ 267.159076 156.8
[M+Na]+ 289.141018 162.4
[M-H]- 265.144524 162.2
[M+NH4]+ 284.185623 173.8
[M+K]+ 305.114958 165.0
[M+H-H2O]+ 249.149060 152.5
[M+HCOO]- 311.150001 167.7
[M+CH3COO]- 325.165651 199.6
[M+Na-2H]- 287.126466 161.5
[M]+ 266.15125142 153.4
[M]- 266.15234858 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.