CID 169501868

5-hydroxyfluvastatin-glucuronide

Structural Information

Molecular Formula
C30H34FNO11
SMILES
CC(C)N1C2=C(C=C(C=C2)O)C(=C1/C=C/[C@H](C[C@H](CC(=O)OC3[C@@H](C([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C30H34FNO11/c1-14(2)32-21-9-7-18(34)12-20(21)24(15-3-5-16(31)6-4-15)22(32)10-8-17(33)11-19(35)13-23(36)42-30-27(39)25(37)26(38)28(43-30)29(40)41/h3-10,12,14,17,19,25-28,30,33-35,37-39H,11,13H2,1-2H3,(H,40,41)/b10-8+/t17-,19-,25?,26+,27-,28+,30?/m1/s1
InChIKey
GFBKQCOFPJTENV-OLFJJQDQSA-N
Compound name
(2S,3S,5R)-6-[(E,3R,5S)-7-[3-(4-fluorophenyl)-5-hydroxy-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

603.2116 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.218876 237.2
[M+Na]+ 626.200818 237.8
[M-H]- 602.204324 237.1
[M+NH4]+ 621.245423 234.3
[M+K]+ 642.174758 237.5
[M+H-H2O]+ 586.208860 228.5
[M+HCOO]- 648.209801 238.1
[M+CH3COO]- 662.225451 254.0
[M+Na-2H]- 624.186266 252.5
[M]+ 603.21105142 237.8
[M]- 603.21214858 237.8
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

No patent data available for this compound.