CID 53462478

Pteroside p

Structural Information

Molecular Formula
C20H28O8
SMILES
CC1CC2=CC(=C(C(=C2C1=O)C)CCOC3C(C(C(C(O3)CO)O)O)O)CO
InChI
InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3
InChIKey
MTMPFCKKJBWSKK-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2,7-dimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18568 191.9
[M+Na]+ 419.16762 197.8
[M-H]- 395.17112 193.8
[M+NH4]+ 414.21222 202.0
[M+K]+ 435.14156 194.9
[M+H-H2O]+ 379.17566 186.5
[M+HCOO]- 441.17660 201.6
[M+CH3COO]- 455.19225 216.7
[M+Na-2H]- 417.15307 187.3
[M]+ 396.17785 193.2
[M]- 396.17895 193.2
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.