CID 169502180

Fluvastatin-glucuronide

Structural Information

Molecular Formula
C30H34FNO10
SMILES
CC(C)N1C2=CC=CC=C2C(=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/C30H34FNO10/c1-15(2)32-21-6-4-3-5-20(21)24(16-7-9-17(31)10-8-16)22(32)12-11-18(33)13-19(34)14-23(35)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h3-12,15,18-19,25-28,30,33-34,36-38H,13-14H2,1-2H3,(H,39,40)/b12-11+/t18-,19-,25?,26+,27-,28+,30?/m1/s1
InChIKey
VHVURYGKEFOIMA-YSTHPCFPSA-N
Compound name
(2S,3S,5R)-6-[(E,3R,5S)-7-[3-(4-fluorophenyl)-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

587.2167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.223976 235.2
[M+Na]+ 610.205918 235.9
[M-H]- 586.209424 236.0
[M+NH4]+ 605.250523 233.5
[M+K]+ 626.179858 234.9
[M+H-H2O]+ 570.213960 226.2
[M+HCOO]- 632.214901 237.4
[M+CH3COO]- 646.230551 251.4
[M+Na-2H]- 608.191366 224.6
[M]+ 587.21615142 235.6
[M]- 587.21724858 235.6
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.