CID 169502121

6-hydroxyfluvastatin-glucuronide

Structural Information

Molecular Formula
C30H34FNO11
SMILES
CC(C)N1C2=C(C=CC(=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(24(15-3-5-16(31)6-4-15)20-9-7-18(34)12-22(20)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
SEQDOYFCLBYAPY-OLFJJQDQSA-N
Compound name
(2S,3S,5R)-6-[(E,3R,5S)-7-[3-(4-fluorophenyl)-6-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]+ 604.21888 237.2
[M+Na]+ 626.20082 237.8
[M-H]- 602.20432 237.1
[M+NH4]+ 621.24542 234.3
[M+K]+ 642.17476 237.5
[M+H-H2O]+ 586.20886 228.5
[M+HCOO]- 648.20980 238.1
[M+CH3COO]- 662.22545 254.0
[M+Na-2H]- 624.18627 252.5
[M]+ 603.21105 237.8
[M]- 603.21215 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.