CID 5282036

Narbomycin

Structural Information

Molecular Formula
C28H47NO7
SMILES
CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C
InChI
InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18-,19+,20-,21+,23-,25-,26+,28+/m1/s1
InChIKey
OXFYAOOMMKGGAI-JLTOUBQASA-N
Compound name
(3R,5R,6S,7S,9R,11E,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

917
Patents

509.33527 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.34255 224.3
[M+Na]+ 532.32449 228.7
[M-H]- 508.32799 230.6
[M+NH4]+ 527.36909 226.6
[M+K]+ 548.29843 229.6
[M+H-H2O]+ 492.33253 221.1
[M+HCOO]- 554.33347 233.1
[M+CH3COO]- 568.34912 251.2
[M+Na-2H]- 530.30994 213.4
[M]+ 509.33472 223.7
[M]- 509.33582 223.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe