CID 54676771

Nsc672124

Structural Information

Molecular Formula
C23H26O10
SMILES
COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C23H26O10/c1-30-19(25)14-13-10-12(11-8-6-5-7-9-11)15(20(26)31-2)23(29,16(13)21(27)32-3)17(18(14)24)22(28)33-4/h5-9,12-13,15-17,24,29H,10H2,1-4H3
InChIKey
YEGXVLDEOIDHGW-UHFFFAOYSA-N
Compound name
tetramethyl 3,5-dihydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1526 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15988 199.9
[M+Na]+ 485.14182 203.8
[M-H]- 461.14532 202.4
[M+NH4]+ 480.18642 210.0
[M+K]+ 501.11576 204.9
[M+H-H2O]+ 445.14986 193.4
[M+HCOO]- 507.15080 210.0
[M+CH3COO]- 521.16645 231.9
[M+Na-2H]- 483.12727 197.7
[M]+ 462.15205 205.4
[M]- 462.15315 205.4
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

No patent data available for this compound.