PubChemLite - Gilvocarcin v (C27H26O9)

Structural Information

Molecular Formula

SMILES

CC(C1C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O

InChI

InChI=1S/C27H26O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26,28-31H,1H2,2-4H3

InChIKey

XCWHINLKQMCRON-UHFFFAOYSA-N

Compound name

4-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-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]+	495.16496	217.5
[M+Na]+	517.14690	231.3
[M+NH4]+	512.19150	221.9
[M+K]+	533.12084	228.8
[M-H]-	493.15040	222.1
[M+Na-2H]-	515.13235	216.6
[M]+	494.15713	220.8
[M]-	494.15823	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.16496

217.5

[M+Na]+

517.14690

231.3

[M+NH4]+

512.19150

221.9

[M+K]+

533.12084

228.8

[M-H]-

493.15040

222.1

[M+Na-2H]-

515.13235

216.6

[M]+

494.15713

220.8

[M]-

494.15823

220.8

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

Gilvocarcin v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe