PubChemLite - Satratoxin g (C29H36O10)

Structural Information

Molecular Formula

SMILES

CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(C5O)(/C=C/C=C\C(=O)OC6C3(C7(CO7)C(C6)O2)C)C(C)O

InChI

InChI=1S/C29H36O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,17-20,22,24,30,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5+

InChIKey

GTONGKBINDTWOM-QXMOYCCXSA-N

Compound name

(20Z,22E)-28-hydroxy-24-(1-hydroxyethyl)-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,22-triene-15,2'-oxirane]-4,19-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]+	545.23811	190.8
[M+Na]+	567.22005	194.9
[M-H]-	543.22355	196.6
[M+NH4]+	562.26465	190.3
[M+K]+	583.19399	208.0
[M+H-H2O]+	527.22809	191.7
[M+HCOO]-	589.22903	180.3
[M+CH3COO]-	603.24468	194.9
[M+Na-2H]-	565.20550	194.8
[M]+	544.23028	199.0
[M]-	544.23138	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.23811

190.8

[M+Na]+

567.22005

194.9

[M-H]-

543.22355

196.6

[M+NH4]+

562.26465

190.3

[M+K]+

583.19399

208.0

[M+H-H2O]+

527.22809

191.7

[M+HCOO]-

589.22903

180.3

[M+CH3COO]-

603.24468

194.9

[M+Na-2H]-

565.20550

194.8

[M]+

544.23028

199.0

[M]-

544.23138

199.0

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

Satratoxin g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe