CID 53477777

20-hydroxy-pgf2a

Structural Information

Molecular Formula
C20H34O6
SMILES
C1[C@@H](C(C([C@@H]1O)/C=C/[C@H](CCCCCO)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16?,17?,18-,19+/m0/s1
InChIKey
XQXUYZDBZCLAQO-BFDMEJFDSA-N
Compound name
(Z)-7-[(3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

370.23553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.24281 194.2
[M+Na]+ 393.22475 196.8
[M+NH4]+ 388.26935 195.6
[M+K]+ 409.19869 195.6
[M-H]- 369.22825 188.9
[M+Na-2H]- 391.21020 188.9
[M]+ 370.23498 192.0
[M]- 370.23608 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe