CID 6445458
35906-56-0
Structural Information
- Molecular Formula
- C38H63NO14
- SMILES
- CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O)C
- InChI
- InChI=1S/C38H63NO14/c1-10-28(42)51-27-19-29(43)48-22(3)14-12-11-13-15-26(41)21(2)18-25(16-17-40)34(35(27)47-9)53-37-32(44)31(39(7)8)33(23(4)50-37)52-30-20-38(6,46)36(45)24(5)49-30/h11-13,15,17,21-27,30-37,41,44-46H,10,14,16,18-20H2,1-9H3/b12-11+,15-13+/t21-,22-,23-,24+,25+,26+,27-,30+,31-,32-,33-,34+,35+,36+,37+,38-/m1/s1
- InChIKey
- GNXVPSYTTPBCTM-RQWHEHCQSA-N
- Compound name
- [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 758.43215 | 286.6 |
[M+Na]+ | 780.41409 | 289.1 |
[M-H]- | 756.41759 | 282.9 |
[M+NH4]+ | 775.45869 | 286.1 |
[M+K]+ | 796.38803 | 273.1 |
[M+H-H2O]+ | 740.42213 | 268.4 |
[M+HCOO]- | 802.42307 | 287.0 |
[M+CH3COO]- | 816.43872 | 290.4 |
[M+Na-2H]- | 778.39954 | 311.2 |
[M]+ | 757.42432 | 293.3 |
[M]- | 757.42542 | 293.3 |
Literature stripe
No literature data available for this compound.