CID 131751194

Ginsenoside f4

Structural Information

Molecular Formula
C42H70O12
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5/C(=C/CC=C(C)C)/C)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O
InChI
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12+
InChIKey
QOMBXPYXWGTFNR-CIAFOILYSA-N
Compound name
2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

766.48676 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.49404 265.7
[M+Na]+ 789.47598 263.1
[M+NH4]+ 784.52058 264.0
[M+K]+ 805.44992 269.0
[M-H]- 765.47948 257.6
[M+Na-2H]- 787.46143 278.7
[M]+ 766.48621 262.4
[M]- 766.48731 262.4
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.