CID 139588674
Ribocyclophane d
Structural Information
- Molecular Formula
- C43H66O11
- SMILES
- CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
- InChI
- InChI=1S/C43H66O11/c1-6-8-16-28-19-13-11-15-26(4)42(54-43-40(51)39(50)36(49)24-52-43)31-22-34(47)38(35(48)23-31)29(17-9-7-2)18-12-10-14-25(3)41(53-27(5)44)30-20-32(45)37(28)33(46)21-30/h20-23,25-26,28-29,36,39-43,45-51H,6-19,24H2,1-5H3/t25-,26-,28-,29-,36+,39+,40+,41+,42+,43-/m0/s1
- InChIKey
- PWWBCIPAUJDCLH-JPWHELPHSA-N
- Compound name
- [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-13-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 759.46778 | 303.8 |
[M+Na]+ | 781.44972 | 311.3 |
[M-H]- | 757.45322 | 298.5 |
[M+NH4]+ | 776.49432 | 303.6 |
[M+K]+ | 797.42366 | 290.2 |
[M+H-H2O]+ | 741.45776 | 283.5 |
[M+HCOO]- | 803.45870 | 304.2 |
[M+CH3COO]- | 817.47435 | 306.1 |
[M+Na-2H]- | 779.43517 | 307.5 |
[M]+ | 758.45995 | 311.8 |
[M]- | 758.46105 | 311.8 |
Literature stripe
Patent stripe
No patent data available for this compound.