PubChemLite - Garcimangosone b (C24H24O6)

Structural Information

Molecular Formula

SMILES

CC1(CCC2=C3C(=CC(=C2O1)OC)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C3=O)O)C

InChI

InChI=1S/C24H24O6/c1-23(2)8-6-12-14(29-23)10-16-19(20(12)25)21(26)18-13-7-9-24(3,4)30-22(13)17(27-5)11-15(18)28-16/h6,8,10-11,25H,7,9H2,1-5H3

InChIKey

KPEKAHVOTOEHJF-UHFFFAOYSA-N

Compound name

22-hydroxy-10-methoxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one

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]+	409.16458	195.6
[M+Na]+	431.14652	213.1
[M+NH4]+	426.19112	206.7
[M+K]+	447.12046	201.9
[M-H]-	407.15002	203.7
[M+Na-2H]-	429.13197	200.4
[M]+	408.15675	201.2
[M]-	408.15785	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.16458

195.6

[M+Na]+

431.14652

213.1

[M+NH4]+

426.19112

206.7

[M+K]+

447.12046

201.9

[M-H]-

407.15002

203.7

[M+Na-2H]-

429.13197

200.4

[M]+

408.15675

201.2

[M]-

408.15785

201.2

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

Garcimangosone b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe