CID 131753017

5,7-megastigmadien-9-ol glucoside

Structural Information

Molecular Formula
C19H32O6
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(C)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C19H32O6/c1-11-6-5-9-19(3,4)13(11)8-7-12(2)24-18-17(23)16(22)15(21)14(10-20)25-18/h7-8,12,14-18,20-23H,5-6,9-10H2,1-4H3/b8-7+
InChIKey
JGUNLOSHGIQYCT-BQYQJAHWSA-N
Compound name
2-(hydroxymethyl)-6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.21988 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22716 185.9
[M+Na]+ 379.20910 193.4
[M+NH4]+ 374.25370 191.4
[M+K]+ 395.18304 188.6
[M-H]- 355.21260 186.8
[M+Na-2H]- 377.19455 186.2
[M]+ 356.21933 186.9
[M]- 356.22043 186.9
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

patents stripe