PubChemLite - Amorphigenol (C23H24O8)

Structural Information

Molecular Formula

SMILES

CC(CO)(C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O

InChI

InChI=1S/C23H24O8/c1-23(26,10-24)19-7-13-14(30-19)5-4-11-21(25)20-12-6-16(27-2)17(28-3)8-15(12)29-9-18(20)31-22(11)13/h4-6,8,18-20,24,26H,7,9-10H2,1-3H3

InChIKey

HCVCUIIDODCONY-UHFFFAOYSA-N

Compound name

6-(1,2-dihydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-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]+	429.15441	197.6
[M+Na]+	451.13635	209.0
[M+NH4]+	446.18095	203.9
[M+K]+	467.11029	207.1
[M-H]-	427.13985	202.2
[M+Na-2H]-	449.12180	195.1
[M]+	428.14658	200.5
[M]-	428.14768	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.15441

197.6

[M+Na]+

451.13635

209.0

[M+NH4]+

446.18095

203.9

[M+K]+

467.11029

207.1

[M-H]-

427.13985

202.2

[M+Na-2H]-

449.12180

195.1

[M]+

428.14658

200.5

[M]-

428.14768

200.5

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

Amorphigenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe