PubChemLite - Wikstrol a (C30H22O10)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](OC2=C1C(=CC(=C2C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)C6=CC=C(C=C6)O)O

InChI

InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-27(38)24-20(35)9-17(33)10-23(24)39-29(26)14-3-7-16(32)8-4-14/h1-10,12,22,28,31-37H,11H2/t22-,28+/m0/s1

InChIKey

SRCSHETVEHQXLC-RBISFHTESA-N

Compound name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]chromen-4-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]+	543.12858	230.0
[M+Na]+	565.11052	237.1
[M-H]-	541.11402	238.5
[M+NH4]+	560.15512	229.1
[M+K]+	581.08446	236.1
[M+H-H2O]+	525.11856	217.9
[M+HCOO]-	587.11950	235.7
[M+CH3COO]-	601.13515	235.1
[M+Na-2H]-	563.09597	229.0
[M]+	542.12075	231.4
[M]-	542.12185	231.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.12858

230.0

[M+Na]+

565.11052

237.1

[M-H]-

541.11402

238.5

[M+NH4]+

560.15512

229.1

[M+K]+

581.08446

236.1

[M+H-H2O]+

525.11856

217.9

[M+HCOO]-

587.11950

235.7

[M+CH3COO]-

601.13515

235.1

[M+Na-2H]-

563.09597

229.0

[M]+

542.12075

231.4

[M]-

542.12185

231.4

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

Wikstrol a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe