CID 78200663

1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

Structural Information

Molecular Formula
C38H22O6
SMILES
C1=CC=C(C=C1)C2=C3C4=C(C=C2)C=CC5=C4C6C7C8=C(C=CC9=C8C(=C(C=C9)C1=CC=CC=C1)C(=O)C7(O5)O)OC6(C3=O)O
InChI
InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H
InChIKey
YOXXPZVESHZYHK-UHFFFAOYSA-N
Compound name
1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.14166 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.14894 226.3
[M+Na]+ 597.13088 231.4
[M-H]- 573.13438 234.2
[M+NH4]+ 592.17548 234.2
[M+K]+ 613.10482 228.4
[M+H-H2O]+ 557.13892 204.0
[M+HCOO]- 619.13986 225.9
[M+CH3COO]- 633.15551 229.7
[M+Na-2H]- 595.11633 232.1
[M]+ 574.14111 229.2
[M]- 574.14221 229.2
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.