PubChemLite - Euchretin c (C30H32O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)OC4=C(C(=C(C=C34)O)O)CC=C(C)C)CC=C(C)C)O)C

InChI

InChI=1S/C30H32O7/c1-14(2)7-10-17-24(32)18(11-8-15(3)4)29-23(26(17)34)27(35)22-20-13-21(31)25(33)19(12-9-16(5)6)28(20)36-30(22)37-29/h7-9,13,31-34H,10-12H2,1-6H3

InChIKey

IZIAIFCTOOEOCV-UHFFFAOYSA-N

Compound name

1,3,8,9-tetrahydroxy-2,4,7-tris(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-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]+	505.22208	228.6
[M+Na]+	527.20402	238.1
[M-H]-	503.20752	232.6
[M+NH4]+	522.24862	236.0
[M+K]+	543.17796	234.0
[M+H-H2O]+	487.21206	222.2
[M+HCOO]-	549.21300	238.8
[M+CH3COO]-	563.22865	244.5
[M+Na-2H]-	525.18947	223.5
[M]+	504.21425	238.4
[M]-	504.21535	238.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.22208

228.6

[M+Na]+

527.20402

238.1

[M-H]-

503.20752

232.6

[M+NH4]+

522.24862

236.0

[M+K]+

543.17796

234.0

[M+H-H2O]+

487.21206

222.2

[M+HCOO]-

549.21300

238.8

[M+CH3COO]-

563.22865

244.5

[M+Na-2H]-

525.18947

223.5

[M]+

504.21425

238.4

[M]-

504.21535

238.4

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

Euchretin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe