PubChemLite - Eriojaposide a (C24H38O11)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)CC(C1/C=C/C(C)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)(C)C

InChI

InChI=1S/C24H38O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-7,12,14-23,26-31H,8-10H2,1-4H3/b6-5+

InChIKey

FFYPJOJFUJFYAT-AATRIKPKSA-N

Compound name

3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-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]+	503.24870	216.0
[M+Na]+	525.23064	220.6
[M+NH4]+	520.27524	217.5
[M+K]+	541.20458	219.5
[M-H]-	501.23414	216.8
[M+Na-2H]-	523.21609	212.2
[M]+	502.24087	216.2
[M]-	502.24197	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.24870

216.0

[M+Na]+

525.23064

220.6

[M+NH4]+

520.27524

217.5

[M+K]+

541.20458

219.5

[M-H]-

501.23414

216.8

[M+Na-2H]-

523.21609

212.2

[M]+

502.24087

216.2

[M]-

502.24197

216.2

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

Eriojaposide a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe