PubChemLite - Olomoucin (C24H24O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1)COC(=O)[C@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C)O)C

InChI

InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-30-23(29)24(3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1

InChIKey

FPVUCBMBMUHRDX-XMMPIXPASA-N

Compound name

[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxofuran-2-carboxylate

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]+	425.15948	200.1
[M+Na]+	447.14142	210.9
[M+NH4]+	442.18602	205.0
[M+K]+	463.11536	207.0
[M-H]-	423.14492	203.0
[M+Na-2H]-	445.12687	204.5
[M]+	424.15165	202.3
[M]-	424.15275	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.15948

200.1

[M+Na]+

447.14142

210.9

[M+NH4]+

442.18602

205.0

[M+K]+

463.11536

207.0

[M-H]-

423.14492

203.0

[M+Na-2H]-

445.12687

204.5

[M]+

424.15165

202.3

[M]-

424.15275

202.3

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

Olomoucin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe