CID 85193319

(+)-ginsenoside rh7

Structural Information

Molecular Formula
C36H60O9
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

compound 2d structure
2
Annotation Hits

0
References

0
Patents

636.4237 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.43098 241.0
[M+Na]+ 659.41292 242.0
[M+NH4]+ 654.45752 247.8
[M+K]+ 675.38686 236.1
[M-H]- 635.41642 239.4
[M+Na-2H]- 657.39837 237.8
[M]+ 636.42315 240.7
[M]- 636.42425 240.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.