CID 131752901

148843-32-7

Structural Information

Molecular Formula
C30H24O11
SMILES
C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)C7=CC(=CC(=C7)O)O)O
InChI
InChI=1S/C30H24O11/c31-14-3-1-13(2-4-14)30-29(38)26(24-20(36)8-17(34)9-22(24)40-30)25-23(41-30)11-19(35)18-10-21(37)27(39-28(18)25)12-5-15(32)7-16(33)6-12/h1-9,11,21,26-27,29,31-38H,10H2
InChIKey
FCJSPNBYCRWDHZ-UHFFFAOYSA-N
Compound name
5-(3,5-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.13184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.13912 226.8
[M+Na]+ 583.12106 232.5
[M-H]- 559.12456 222.7
[M+NH4]+ 578.16566 229.3
[M+K]+ 599.09500 228.9
[M+H-H2O]+ 543.12910 219.8
[M+HCOO]- 605.13004 231.5
[M+CH3COO]- 619.14569 235.6
[M+Na-2H]- 581.10651 247.7
[M]+ 560.13129 244.1
[M]- 560.13239 244.1
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.