Chebi:182232 (C26H34O9)

Structural Information

Molecular Formula

SMILES

CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C56C(OC(O5)(CC(C6(C4C3)C)O)OC)(C)C)O)C)OC

InChI

InChI=1S/C26H34O9/c1-12-14-11-32-21(29)18(14)20(30-6)13-8-15-23(4,33-19(12)13)9-17(28)26-22(2,3)34-25(31-7,35-26)10-16(27)24(15,26)5/h15-17,27-28H,8-11H2,1-7H3

InChIKey

UHBMKIHOBUKYRH-UHFFFAOYSA-N

Compound name

2,18-dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-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]+	491.227556	202.3
[M+Na]+	513.209498	212.5
[M-H]-	489.213004	208.7
[M+NH4]+	508.254103	221.5
[M+K]+	529.183438	213.0
[M+H-H2O]+	473.217540	198.1
[M+HCOO]-	535.218481	203.0
[M+CH3COO]-	549.234131	211.1
[M+Na-2H]-	511.194946	207.4
[M]+	490.21973142	211.1
[M]-	490.22082858	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.227556

202.3

[M+Na]+

513.209498

212.5

[M-H]-

489.213004

208.7

[M+NH4]+

508.254103

221.5

[M+K]+

529.183438

213.0

[M+H-H2O]+

473.217540

198.1

[M+HCOO]-

535.218481

203.0

[M+CH3COO]-

549.234131

211.1

[M+Na-2H]-

511.194946

207.4

[M]+

490.21973142

211.1

[M]-

490.22082858

211.1

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

Chebi:182232

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe