PubChemLite - Wortmannin (C23H24O8)

Structural Information

Molecular Formula

SMILES

CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChI

InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1

InChIKey

QDLHCMPXEPAAMD-QAIWCSMKSA-N

Compound name

[(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

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]+	429.15441	192.2
[M+Na]+	451.13635	201.0
[M-H]-	427.13985	199.5
[M+NH4]+	446.18095	211.2
[M+K]+	467.11029	199.8
[M+H-H2O]+	411.14439	188.5
[M+HCOO]-	473.14533	202.0
[M+CH3COO]-	487.16098	231.9
[M+Na-2H]-	449.12180	193.3
[M]+	428.14658	199.7
[M]-	428.14768	199.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.15441

192.2

[M+Na]+

451.13635

201.0

[M-H]-

427.13985

199.5

[M+NH4]+

446.18095

211.2

[M+K]+

467.11029

199.8

[M+H-H2O]+

411.14439

188.5

[M+HCOO]-

473.14533

202.0

[M+CH3COO]-

487.16098

231.9

[M+Na-2H]-

449.12180

193.3

[M]+

428.14658

199.7

[M]-

428.14768

199.7

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

Wortmannin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe