CID 129626827

19-hydroxy-prostaglandin i2

Structural Information

Molecular Formula
C20H32O6
SMILES
CC(CCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O)O)O
InChI
InChI=1S/C20H32O6/c1-13(21)5-4-6-14(22)9-10-16-17-11-15(7-2-3-8-20(24)25)26-19(17)12-18(16)23/h7,9-10,13-14,16-19,21-23H,2-6,8,11-12H2,1H3,(H,24,25)/b10-9+,15-7-/t13?,14-,16+,17+,18+,19-/m0/s1
InChIKey
PGRXDTJFXIPRSO-QAQUDUTNSA-N
Compound name
(5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3,7-dihydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.21988 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22716 191.8
[M+Na]+ 391.20910 194.0
[M+NH4]+ 386.25370 194.4
[M+K]+ 407.18304 195.7
[M-H]- 367.21260 188.3
[M+Na-2H]- 389.19455 185.3
[M]+ 368.21933 190.2
[M]- 368.22043 190.2
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