CID 11686063
Cyclotetraglucose
Structural Information
- Molecular Formula
- C24H40O20
- SMILES
- C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@H]5[C@@H]([C@H](O[C@@H]([C@@H]5O)O1)CO)O)O)O)O)CO)O)O)O)O
- InChI
- InChI=1S/C24H40O20/c25-1-5-11(29)19-17(35)21(39-5)37-3-7-9(27)14(32)16(34)24(42-7)44-20-12(30)6(2-26)40-22(18(20)36)38-4-8-10(28)13(31)15(33)23(41-8)43-19/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-/m1/s1
- InChIKey
- NIFXVRWMHZPIFE-KCLHJWPFSA-N
- Compound name
- (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 649.21858 | 240.3 |
[M+Na]+ | 671.20052 | 239.5 |
[M+NH4]+ | 666.24512 | 239.1 |
[M+K]+ | 687.17446 | 250.0 |
[M-H]- | 647.20402 | 233.0 |
[M+Na-2H]- | 669.18597 | 257.1 |
[M]+ | 648.21075 | 237.3 |
[M]- | 648.21185 | 237.3 |