PubChemLite - Euglobal v (C28H38O5)

Structural Information

Molecular Formula

SMILES

CC1CCC2C(C2(C)C)C3C14CCC3(C(C5=C(C(=C(C(=C5O4)C=O)O)C=O)O)CC(C)C)C

InChI

InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3

InChIKey

BIAFCXUFUQOOMP-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.01,11.03,8.012,14]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

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	196.1
[M+Na]+	477.26112	202.1
[M+NH4]+	472.30572	203.5
[M+K]+	493.23506	198.5
[M-H]-	453.26462	202.3
[M+Na-2H]-	475.24657	198.3
[M]+	454.27135	199.9
[M]-	454.27245	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.27918

196.1

[M+Na]+

477.26112

202.1

[M+NH4]+

472.30572

203.5

[M+K]+

493.23506

198.5

[M-H]-

453.26462

202.3

[M+Na-2H]-

475.24657

198.3

[M]+

454.27135

199.9

[M]-

454.27245

199.9

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

Euglobal v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe