PubChemLite - So 75r1 (C29H34O11)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=C(C=C5)C)OC)O)(C)O)O)OC)OC

InChI

InChI=1S/C29H34O11/c1-11-7-8-13-17(25(11)36-4)23(33)19-18(20(13)30)21(31)14-9-29(3,35)10-15(16(14)22(19)32)40-28-24(34)27(38-6)26(37-5)12(2)39-28/h7-8,12,15,24,26-28,31-32,34-35H,9-10H2,1-6H3

InChIKey

BOCNMPJNEZKZFJ-UHFFFAOYSA-N

Compound name

6,9,11-trihydroxy-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-methoxy-3,9-dimethyl-8,10-dihydro-7H-tetracene-5,12-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]+	559.21738	230.1
[M+Na]+	581.19932	236.5
[M-H]-	557.20282	234.5
[M+NH4]+	576.24392	235.8
[M+K]+	597.17326	237.3
[M+H-H2O]+	541.20736	220.9
[M+HCOO]-	603.20830	233.0
[M+CH3COO]-	617.22395	257.1
[M+Na-2H]-	579.18477	227.2
[M]+	558.20955	236.1
[M]-	558.21065	236.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.21738

230.1

[M+Na]+

581.19932

236.5

[M-H]-

557.20282

234.5

[M+NH4]+

576.24392

235.8

[M+K]+

597.17326

237.3

[M+H-H2O]+

541.20736

220.9

[M+HCOO]-

603.20830

233.0

[M+CH3COO]-

617.22395

257.1

[M+Na-2H]-

579.18477

227.2

[M]+

558.20955

236.1

[M]-

558.21065

236.1

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

So 75r1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe