PubChemLite - 20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione (C25H32O7)

Structural Information

Molecular Formula

SMILES

CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5(C(OC(=O)CCC5(C4C3)C)(C)C)O)C)OC

InChI

InChI=1S/C25H32O7/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)31-22(2,3)25(23,28)10-9-24(16,5)32-19(13)14/h16,28H,7-12H2,1-6H3

InChIKey

GEOMINBWFXSCOW-UHFFFAOYSA-N

Compound name

20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione

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]+	445.22208	197.2
[M+Na]+	467.20402	206.2
[M-H]-	443.20752	205.4
[M+NH4]+	462.24862	214.6
[M+K]+	483.17796	206.1
[M+H-H2O]+	427.21206	191.8
[M+HCOO]-	489.21300	202.3
[M+CH3COO]-	503.22865	206.1
[M+Na-2H]-	465.18947	201.0
[M]+	444.21425	198.7
[M]-	444.21535	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.22208

197.2

[M+Na]+

467.20402

206.2

[M-H]-

443.20752

205.4

[M+NH4]+

462.24862

214.6

[M+K]+

483.17796

206.1

[M+H-H2O]+

427.21206

191.8

[M+HCOO]-

489.21300

202.3

[M+CH3COO]-

503.22865

206.1

[M+Na-2H]-

465.18947

201.0

[M]+

444.21425

198.7

[M]-

444.21535

198.7

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

20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe