CID 42607299

Pgf3alpha-1,15-lactone

Structural Information

Molecular Formula
C20H30O4
SMILES
CC/C=C\C[C@H]1/C=C/[C@@H]2[C@@H](C/C=C\CCCC(=O)O1)[C@H](C[C@H]2O)O
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h3-4,6-7,12-13,15-19,21-22H,2,5,8-11,14H2,1H3/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
PSLAHCPLUFYWAH-SAMSIYEGSA-N
Compound name
(1R,2E,4S,10Z,13R,14S,16R)-14,16-dihydroxy-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 180.0
[M+Na]+ 357.20364 183.8
[M-H]- 333.20714 179.7
[M+NH4]+ 352.24824 191.4
[M+K]+ 373.17758 180.8
[M+H-H2O]+ 317.21168 178.0
[M+HCOO]- 379.21262 192.6
[M+CH3COO]- 393.22827 199.5
[M+Na-2H]- 355.18909 177.0
[M]+ 334.21387 173.6
[M]- 334.21497 173.6
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

No patent data available for this compound.