CID 496630

Deoxydihydro-artemisinin

Structural Information

Molecular Formula
C15H24O4
SMILES
C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CCC(O3)(O4)C)O)C
InChI
InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14?,15-/m1/s1
InChIKey
JQGOBHOUYKYFPD-YONALABKSA-N
Compound name
(4S,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.16745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 159.3
[M+Na]+ 291.15667 165.4
[M-H]- 267.16017 163.5
[M+NH4]+ 286.20127 180.5
[M+K]+ 307.13061 165.5
[M+H-H2O]+ 251.16471 154.6
[M+HCOO]- 313.16565 166.4
[M+CH3COO]- 327.18130 170.0
[M+Na-2H]- 289.14212 165.0
[M]+ 268.16690 158.6
[M]- 268.16800 158.6
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

patents stripe