CID 131752685

Lyciumoside i

Structural Information

Molecular Formula
C32H54O12
SMILES
C/C(=C/CC/C(=C/CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)/C)/CC/C=C(\C)/COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10-,20-14+,21-13+
InChIKey
HQUVEBJUUSKUCJ-YLCPDNOISA-N
Compound name
2-(hydroxymethyl)-6-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

630.3615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.36878 243.8
[M+Na]+ 653.35072 243.1
[M+NH4]+ 648.39532 238.8
[M+K]+ 669.32466 239.7
[M-H]- 629.35422 240.6
[M+Na-2H]- 651.33617 245.1
[M]+ 630.36095 241.6
[M]- 630.36205 241.6
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.