PubChemLite - Ginsenoside rh8 (C36H60O9)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

VGJOYFZLAIERID-UHFFFAOYSA-N

Compound name

3,6-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-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]+	637.43098	240.9
[M+Na]+	659.41292	241.5
[M+NH4]+	654.45752	247.7
[M+K]+	675.38686	235.4
[M-H]-	635.41642	239.2
[M+Na-2H]-	657.39837	237.4
[M]+	636.42315	240.4
[M]-	636.42425	240.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.43098

240.9

[M+Na]+

659.41292

241.5

[M+NH4]+

654.45752

247.7

[M+K]+

675.38686

235.4

[M-H]-

635.41642

239.2

[M+Na-2H]-

657.39837

237.4

[M]+

636.42315

240.4

[M]-

636.42425

240.4

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

Ginsenoside rh8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe