Ginsenoside rh6 (C36H62O11)

Structural Information

Molecular Formula

SMILES

CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(C/C=C/C(C)(C)OO)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C)O)C

InChI

InChI=1S/C36H62O11/c1-31(2,47-44)12-9-13-36(8,46-30-28(43)27(42)26(41)22(18-37)45-30)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(40)32(3,4)29(33)21(39)17-35(23,34)7/h9,12,19-30,37-44H,10-11,13-18H2,1-8H3/b12-9+

InChIKey

JFTBERIHMIFXML-FMIVXFBMSA-N

Compound name

2-[(E)-6-hydroperoxy-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-4-en-2-yl]oxy-6-(hydroxymethyl)oxane-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]+	671.436476	247.3
[M+Na]+	693.418418	251.9
[M-H]-	669.421924	243.2
[M+NH4]+	688.463023	247.9
[M+K]+	709.392358	244.8
[M+H-H2O]+	653.426460	235.1
[M+HCOO]-	715.427401	249.7
[M+CH3COO]-	729.443051	266.7
[M+Na-2H]-	691.403866	265.8
[M]+	670.42865142	247.1
[M]-	670.42974858	247.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

671.436476

247.3

[M+Na]+

693.418418

251.9

[M-H]-

669.421924

243.2

[M+NH4]+

688.463023

247.9

[M+K]+

709.392358

244.8

[M+H-H2O]+

653.426460

235.1

[M+HCOO]-

715.427401

249.7

[M+CH3COO]-

729.443051

266.7

[M+Na-2H]-

691.403866

265.8

[M]+

670.42865142

247.1

[M]-

670.42974858

247.1

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

Ginsenoside rh6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe