CID 482783

(-)-dihydroparthenolide

Structural Information

Molecular Formula
C15H22O3
SMILES
C[C@H]1[C@@H]2CCC(=CCC[C@@]3([C@H]([C@H]2OC1=O)O3)C)C
InChI
InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-,12-,13-,15+/m0/s1
InChIKey
GSVWPONNFJXHJL-MJDBTJCESA-N
Compound name
(1S,2S,4R,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 151.1
[M+Na]+ 273.14611 161.1
[M-H]- 249.14961 156.2
[M+NH4]+ 268.19071 164.9
[M+K]+ 289.12005 161.9
[M+H-H2O]+ 233.15415 150.7
[M+HCOO]- 295.15509 166.0
[M+CH3COO]- 309.17074 194.8
[M+Na-2H]- 271.13156 155.1
[M]+ 250.15634 153.3
[M]- 250.15744 153.3
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.