PubChemLite - Euglobal vii (C28H38O5)

Structural Information

Molecular Formula

SMILES

C/C/1=C/CCC2(CC3=C(C(=C(C(=C3OC2C4C(C4(C)C)CC1)C=O)O)C(=O)CC(C)C)O)C

InChI

InChI=1S/C28H38O5/c1-15(2)12-20(30)21-23(31)17-13-28(6)11-7-8-16(3)9-10-19-22(27(19,4)5)26(28)33-25(17)18(14-29)24(21)32/h8,14-15,19,22,26,31-32H,7,9-13H2,1-6H3/b16-8-

InChIKey

JIUCFHYHXVNZMU-PXNMLYILSA-N

Compound name

(7Z)-14,16-dihydroxy-3,3,7,11-tetramethyl-15-(3-methylbutanoyl)-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-17-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]+	455.27918	205.6
[M+Na]+	477.26112	213.5
[M-H]-	453.26462	207.2
[M+NH4]+	472.30572	212.4
[M+K]+	493.23506	211.6
[M+H-H2O]+	437.26916	204.4
[M+HCOO]-	499.27010	210.7
[M+CH3COO]-	513.28575	234.9
[M+Na-2H]-	475.24657	203.4
[M]+	454.27135	209.0
[M]-	454.27245	209.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.27918

205.6

[M+Na]+

477.26112

213.5

[M-H]-

453.26462

207.2

[M+NH4]+

472.30572

212.4

[M+K]+

493.23506

211.6

[M+H-H2O]+

437.26916

204.4

[M+HCOO]-

499.27010

210.7

[M+CH3COO]-

513.28575

234.9

[M+Na-2H]-

475.24657

203.4

[M]+

454.27135

209.0

[M]-

454.27245

209.0

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

Euglobal vii

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe