CID 6441781
Neospiramycin i
Structural Information
- Molecular Formula
- C36H62N2O11
- SMILES
- C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C
- InChI
- InChI=1S/C36H62N2O11/c1-21-19-25(17-18-39)34(49-36-33(43)31(38(7)8)32(42)24(4)47-36)35(44-9)27(40)20-29(41)45-22(2)13-11-10-12-14-28(21)48-30-16-15-26(37(5)6)23(3)46-30/h10-12,14,18,21-28,30-36,40,42-43H,13,15-17,19-20H2,1-9H3/b11-10+,14-12+/t21-,22-,23-,24-,25+,26+,27-,28+,30+,31+,32-,33-,34+,35+,36+/m1/s1
- InChIKey
- SUBWVHAACKTENX-XLGVTROISA-N
- Compound name
- 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 699.44264 | 295.2 |
[M+Na]+ | 721.42458 | 297.5 |
[M-H]- | 697.42808 | 290.8 |
[M+NH4]+ | 716.46918 | 294.7 |
[M+K]+ | 737.39852 | 283.8 |
[M+H-H2O]+ | 681.43262 | 266.2 |
[M+HCOO]- | 743.43356 | 295.4 |
[M+CH3COO]- | 757.44921 | 286.4 |
[M+Na-2H]- | 719.41003 | 319.9 |
[M]+ | 698.43481 | 305.0 |
[M]- | 698.43591 | 305.0 |