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
2
Annotation Hits

0
References

13
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 242.5
[M+Na]+ 599.38778 245.6
[M-H]- 575.39128 241.3
[M+NH4]+ 594.43238 241.7
[M+K]+ 615.36172 246.7
[M+H-H2O]+ 559.39582 241.9
[M+HCOO]- 621.39676 240.7
[M+CH3COO]- 635.41241 254.4
[M+Na-2H]- 597.37323 232.0
[M]+ 576.39801 238.5
[M]- 576.39911 238.5
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