CID 44149806

72845-43-3

Structural Information

Molecular Formula
C30H32O9
SMILES
CC1COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC(OC(=O)C4C(CC5C4C(=O)OC5=O)C(=O)O1)C)(C)C
InChI
InChI=1S/C30H32O9/c1-16-14-35-20-9-5-18(6-10-20)30(3,4)19-7-11-21(12-8-19)36-15-17(2)38-28(33)24-22(26(31)37-16)13-23-25(24)29(34)39-27(23)32/h5-12,16-17,22-25H,13-15H2,1-4H3
InChIKey
KGUWKGQBTBRXBV-UHFFFAOYSA-N
Compound name
2,2,9,22-tetramethyl-7,10,15,21,24-pentaoxapentacyclo[23.2.2.23,6.012,19.013,17]hentriaconta-1(27),3(31),4,6(30),25,28-hexaene-11,14,16,20-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.20465 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.21193 219.8
[M+Na]+ 559.19387 226.1
[M+NH4]+ 554.23847 225.8
[M+K]+ 575.16781 222.4
[M-H]- 535.19737 217.2
[M+Na-2H]- 557.17932 202.1
[M]+ 536.20410 219.6
[M]- 536.20520 219.6
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.