CID 3069346

(+-)-alpha-terpineol-2,3,4,6-tetra-o-acetyl-beta-d-glucopyranoside

Structural Information

Molecular Formula
C24H36O10
SMILES
CC1=CCC(CC1)C(C)(C)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C24H36O10/c1-13-8-10-18(11-9-13)23(6,7)24(33-17(5)29)22(32-16(4)28)21(31-15(3)27)20(30-14(2)26)19(12-25)34-24/h8,18-22,25H,9-12H2,1-7H3/t18?,19-,20-,21+,22-,24+/m1/s1
InChIKey
AZYGIDZBEIFRCW-IGHKMCEWSA-N
Compound name
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.23083 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.23811 205.1
[M+Na]+ 507.22005 206.9
[M-H]- 483.22355 209.5
[M+NH4]+ 502.26465 212.4
[M+K]+ 523.19399 210.3
[M+H-H2O]+ 467.22809 199.5
[M+HCOO]- 529.22903 213.8
[M+CH3COO]- 543.24468 237.5
[M+Na-2H]- 505.20550 201.5
[M]+ 484.23028 210.9
[M]- 484.23138 210.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.