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
3
Annotation Hits

6
References

113
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 204.7
[M+Na]+ 455.20402 206.2
[M-H]- 431.20752 210.3
[M+NH4]+ 450.24862 214.4
[M+K]+ 471.17796 203.4
[M+H-H2O]+ 415.21206 199.0
[M+HCOO]- 477.21300 217.3
[M+CH3COO]- 491.22865 217.8
[M+Na-2H]- 453.18947 200.5
[M]+ 432.21425 205.1
[M]- 432.21535 205.1
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.