CID 67411885

3'-n-desmethyldescladinose

Structural Information

Molecular Formula
C29H56N2O9
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@H](C[C@H](O2)C)NC)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C29H56N2O9/c1-11-21-29(8,37)24(34)19(6)31(10)14-15(2)13-28(7,36)25(17(4)22(32)18(5)26(35)39-21)40-27-23(33)20(30-9)12-16(3)38-27/h15-25,27,30,32-34,36-37H,11-14H2,1-10H3/t15-,16-,17+,18-,19-,20+,21-,22+,23-,24-,25-,27+,28-,29-/m1/s1
InChIKey
SZROGRUAGWWKKR-NHUOXGILSA-N
Compound name
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

576.39856 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.40584 233.8
[M+Na]+ 599.38778 237.5
[M+NH4]+ 594.43238 235.1
[M+K]+ 615.36172 234.1
[M-H]- 575.39128 235.2
[M+Na-2H]- 597.37323 230.4
[M]+ 576.39801 234.0
[M]- 576.39911 234.0
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

No patent data available for this compound.