PubChemLite - Anhydrogossypol (C30H26O6)

Structural Information

Molecular Formula

SMILES

CC\1=CC2=C(C(=C(C3=COC(=C23)/C1=C/4\C(=CC5=C(C(=O)C(=O)C6=COC4=C56)C(C)C)C)O)O)C(C)C

InChI

InChI=1S/C30H26O6/c1-11(2)19-15-7-13(5)21(29-23(15)17(9-35-29)25(31)27(19)33)22-14(6)8-16-20(12(3)4)28(34)26(32)18-10-36-30(22)24(16)18/h7-12,31,33H,1-6H3/b22-21+

InChIKey

BFBKTZSYPFPSOC-QURGRASLSA-N

Compound name

(11E)-11-(5,6-dihydroxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-ylidene)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraene-5,6-dione

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]+	483.18022	215.9
[M+Na]+	505.16216	234.1
[M+NH4]+	500.20676	222.9
[M+K]+	521.13610	230.6
[M-H]-	481.16566	222.5
[M+Na-2H]-	503.14761	216.7
[M]+	482.17239	220.8
[M]-	482.17349	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.18022

215.9

[M+Na]+

505.16216

234.1

[M+NH4]+

500.20676

222.9

[M+K]+

521.13610

230.6

[M-H]-

481.16566

222.5

[M+Na-2H]-

503.14761

216.7

[M]+

482.17239

220.8

[M]-

482.17349

220.8

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

Anhydrogossypol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe