PubChemLite - 7-(5-formyl-3,6-dihydroxy-7-methoxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,8-dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde (C32H34O8)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C(=C(C(=C2C(C)C)OC)O)C=O)C(=C1C3=C(C=C4C(=C(C(=C(C4=C3C)C(C)C)OC)O)C=O)O)O

InChI

InChI=1S/C32H34O8/c1-13(2)22-18-9-15(5)24(30(38)27(18)20(12-34)29(37)31(22)39-7)26-16(6)25-17(10-21(26)35)19(11-33)28(36)32(40-8)23(25)14(3)4/h9-14,35-38H,1-8H3

InChIKey

UFXIRFJKOAVGEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	547.23262	234.3
[M+Na]+	569.21456	243.6
[M-H]-	545.21806	239.3
[M+NH4]+	564.25916	239.7
[M+K]+	585.18850	241.0
[M+H-H2O]+	529.22260	224.9
[M+HCOO]-	591.22354	245.3
[M+CH3COO]-	605.23919	258.3
[M+Na-2H]-	567.20001	227.0
[M]+	546.22479	245.0
[M]-	546.22589	245.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.23262

234.3

[M+Na]+

569.21456

243.6

[M-H]-

545.21806

239.3

[M+NH4]+

564.25916

239.7

[M+K]+

585.18850

241.0

[M+H-H2O]+

529.22260

224.9

[M+HCOO]-

591.22354

245.3

[M+CH3COO]-

605.23919

258.3

[M+Na-2H]-

567.20001

227.0

[M]+

546.22479

245.0

[M]-

546.22589

245.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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