PubChemLite - Ginsenoside m7cd (C36H62O10)

Structural Information

Molecular Formula

SMILES

CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)O

InChI

InChI=1S/C36H62O10/c1-18(2)20(38)10-14-36(8,46-31-29(44)28(43)27(42)23(17-37)45-31)19-9-13-34(6)26(19)21(39)15-24-33(5)12-11-25(41)32(3,4)30(33)22(40)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3

InChIKey

YWQANVSRCZLIRL-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[5-hydroxy-6-methyl-2-(3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-6-en-2-yl]oxyoxane-3,4,5-triol

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]+	655.44158	242.6
[M+Na]+	677.42352	240.8
[M+NH4]+	672.46812	241.1
[M+K]+	693.39746	245.0
[M-H]-	653.42702	234.3
[M+Na-2H]-	675.40897	252.9
[M]+	654.43375	239.2
[M]-	654.43485	239.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

655.44158

242.6

[M+Na]+

677.42352

240.8

[M+NH4]+

672.46812

241.1

[M+K]+

693.39746

245.0

[M-H]-

653.42702

234.3

[M+Na-2H]-

675.40897

252.9

[M]+

654.43375

239.2

[M]-

654.43485

239.2

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

Ginsenoside m7cd

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe