CID 65030

Artemisin

Structural Information

Molecular Formula
C15H18O4
SMILES
C[C@H]1[C@@H]2[C@H](C[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C)O
InChI
InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1
InChIKey
LUHMMHZLDLBAKX-DBIGVJDZSA-N
Compound name
(3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

185
References

883
Patents

262.1205 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 155.9
[M+Na]+ 285.10972 165.9
[M-H]- 261.11322 161.2
[M+NH4]+ 280.15432 177.5
[M+K]+ 301.08366 163.1
[M+H-H2O]+ 245.11776 152.0
[M+HCOO]- 307.11870 171.6
[M+CH3COO]- 321.13435 197.1
[M+Na-2H]- 283.09517 158.7
[M]+ 262.11995 156.4
[M]- 262.12105 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.