CID 443338

Iridodial glucoside tetraacetate

Structural Information

Molecular Formula
C24H34O11
SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17+,18+,19+,20+,21-,22+,23-,24-/m0/s1
InChIKey
WRILMBKQMSIVJG-CUBFQIDASA-N
Compound name
[(2R,3R,4S,5R,6S)-6-[[(1S,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.21738 210.5
[M+Na]+ 521.19932 212.6
[M-H]- 497.20282 217.9
[M+NH4]+ 516.24392 217.3
[M+K]+ 537.17326 216.7
[M+H-H2O]+ 481.20736 204.7
[M+HCOO]- 543.20830 220.0
[M+CH3COO]- 557.22395 243.6
[M+Na-2H]- 519.18477 203.7
[M]+ 498.20955 218.7
[M]- 498.21065 218.7
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.