CID 25201041

7-(5-formyl-3,6,7-trihydroxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C30H30O8
SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C=C4C(=C(C(=C(C4=C3C)C(C)C)O)O)C=O)O)O
InChI
InChI=1S/C30H30O8/c1-11(2)20-16-7-13(5)22(28(36)25(16)18(10-32)27(35)29(20)37)24-14(6)23-15(8-19(24)33)17(9-31)26(34)30(38)21(23)12(3)4/h7-12,33-38H,1-6H3
InChIKey
KVKZRURZHVRGNY-UHFFFAOYSA-N
Compound name
7-(5-formyl-3,6,7-trihydroxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

518.1941 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.201376 226.5
[M+Na]+ 541.183318 235.9
[M-H]- 517.186824 229.4
[M+NH4]+ 536.227923 231.8
[M+K]+ 557.157258 232.5
[M+H-H2O]+ 501.191360 218.2
[M+HCOO]- 563.192301 235.3
[M+CH3COO]- 577.207951 249.5
[M+Na-2H]- 539.168766 219.4
[M]+ 518.19355142 233.4
[M]- 518.19464858 233.4
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.