PubChemLite - (+)-ginsenoside rh7 (C36H60O9)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C36H60O9/c1-19(2)10-9-13-35(7,45-31-30(43)29(42)28(41)22(18-37)44-31)20-11-15-34(6)27(20)21(38)16-24-33(5)14-12-25(39)32(3,4)23(33)17-26(40)36(24,34)8/h10,17,20-22,24-31,37-43H,9,11-16,18H2,1-8H3

InChIKey

ARPGURKWJGBPTN-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[6-methyl-2-(3,7,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,7,9,11,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-5-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]+	637.43098	252.4
[M+Na]+	659.41292	253.0
[M-H]-	635.41642	249.4
[M+NH4]+	654.45752	260.8
[M+K]+	675.38686	251.1
[M+H-H2O]+	619.42096	250.4
[M+HCOO]-	681.42190	240.9
[M+CH3COO]-	695.43755	263.2
[M+Na-2H]-	657.39837	263.1
[M]+	636.42315	248.9
[M]-	636.42425	248.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.43098

252.4

[M+Na]+

659.41292

253.0

[M-H]-

635.41642

249.4

[M+NH4]+

654.45752

260.8

[M+K]+

675.38686

251.1

[M+H-H2O]+

619.42096

250.4

[M+HCOO]-

681.42190

240.9

[M+CH3COO]-

695.43755

263.2

[M+Na-2H]-

657.39837

263.1

[M]+

636.42315

248.9

[M]-

636.42425

248.9

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

(+)-ginsenoside rh7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe