CID 68363850

1289580-06-8

Structural Information

Molecular Formula
C35H62O5Si2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)O)CC[C@H](CCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C35H62O5Si2/c1-34(2,3)41(7,8)39-28(23-22-27-18-14-13-15-19-27)24-25-29-30(20-16-11-12-17-21-33(37)38)32(26-31(29)36)40-42(9,10)35(4,5)6/h11,13-16,18-19,28-32,36H,12,17,20-26H2,1-10H3,(H,37,38)/b16-11-/t28-,29+,30+,31+,32-/m0/s1
InChIKey
UVRKEAVQFDSZNT-GZBKFCTOSA-N
Compound name
(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3-hydroxycyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

618.4136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.42088 251.2
[M+Na]+ 641.40282 253.7
[M+NH4]+ 636.44742 230.3
[M+K]+ 657.37676 225.6
[M-H]- 617.40632 248.1
[M+Na-2H]- 639.38827 249.0
[M]+ 618.41305 250.4
[M]- 618.41415 250.4
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

patents stripe