CID 73981648

Tsangane l 3-glucoside

Structural Information

Molecular Formula
C19H34O7
SMILES
CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O
InChI
InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3
InChIKey
UJRMJTIXXKZFGB-UHFFFAOYSA-N
Compound name
2-[4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.23044 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.23772 189.2
[M+Na]+ 397.21966 195.9
[M+NH4]+ 392.26426 194.0
[M+K]+ 413.19360 192.3
[M-H]- 373.22316 189.4
[M+Na-2H]- 395.20511 188.4
[M]+ 374.22989 189.8
[M]- 374.23099 189.8
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.