CID 5311241

Etiproston

Structural Information

Molecular Formula
C24H32O7
SMILES
C1COC(O1)(COC2=CC=CC=C2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C24H32O7/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28)/b6-1-,13-12+/t19-,20-,21+,22-/m1/s1
InChIKey
BPALXSWPHQNCAA-RLJNYRALSA-N
Compound name
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

95
Patents

432.2148 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22208 205.4
[M+Na]+ 455.20402 211.0
[M+NH4]+ 450.24862 209.7
[M+K]+ 471.17796 209.0
[M-H]- 431.20752 207.9
[M+Na-2H]- 453.18947 205.8
[M]+ 432.21425 206.4
[M]- 432.21535 206.4
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