CID 493170

[6-acetoxy-4-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-tetralin-2-yl]methyl acetate

Structural Information

Molecular Formula
C28H32O10
SMILES
CC(=O)OCC1CC2=CC(=C(C=C2C(C1COC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC)OC(=O)C)OC
InChI
InChI=1S/C28H32O10/c1-15(29)35-13-21-9-20-11-26(34-6)27(38-18(4)32)12-22(20)28(23(21)14-36-16(2)30)19-7-8-24(37-17(3)31)25(10-19)33-5/h7-8,10-12,21,23,28H,9,13-14H2,1-6H3
InChIKey
ISYNGIHUXCEJCI-UHFFFAOYSA-N
Compound name
[6-acetyloxy-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.20678 219.7
[M+Na]+ 551.18872 223.5
[M-H]- 527.19222 226.4
[M+NH4]+ 546.23332 225.9
[M+K]+ 567.16266 224.8
[M+H-H2O]+ 511.19676 210.1
[M+HCOO]- 573.19770 234.2
[M+CH3COO]- 587.21335 250.0
[M+Na-2H]- 549.17417 214.2
[M]+ 528.19895 230.9
[M]- 528.20005 230.9
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.