CID 10370209

3'-desamine-3-ene-decladinoseazithromycin

Structural Information

Molecular Formula
C28H51NO9
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H](C=C[C@H](O2)C)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C28H51NO9/c1-10-21-28(8,35)23(32)19(6)29(9)14-15(2)13-27(7,34)24(17(4)22(31)18(5)25(33)37-21)38-26-20(30)12-11-16(3)36-26/h11-12,15-24,26,30-32,34-35H,10,13-14H2,1-9H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,24-,26+,27-,28-/m1/s1
InChIKey
WJIHIEWIEXYURU-YTYMPLCASA-N
Compound name
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-11-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

545.3564 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.36368 231.8
[M+Na]+ 568.34562 236.4
[M-H]- 544.34912 231.1
[M+NH4]+ 563.39022 232.5
[M+K]+ 584.31956 237.3
[M+H-H2O]+ 528.35366 231.1
[M+HCOO]- 590.35460 231.0
[M+CH3COO]- 604.37025 243.7
[M+Na-2H]- 566.33107 222.5
[M]+ 545.35585 229.1
[M]- 545.35695 229.1
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

patents stripe