CID 6320715

Ru61205

Structural Information

Molecular Formula
C38H62N4O10
SMILES
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=CN=C4)C
InChI
InChI=1S/C38H62N4O10/c1-12-28-38(8)32(42(36(47)52-38)17-14-13-16-41-18-15-39-21-41)24(4)29(43)22(2)20-37(7,48-11)33(25(5)30(44)26(6)34(46)50-28)51-35-31(45)27(40(9)10)19-23(3)49-35/h15,18,21-28,31-33,35,45H,12-14,16-17,19-20H2,1-11H3/t22-,23-,24+,25+,26-,27+,28-,31-,32-,33-,35+,37-,38-/m1/s1
InChIKey
ZVJWHUGYONAMRA-LDIATOSBSA-N
Compound name
(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-15-(4-imidazol-1-ylbutyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

734.4466 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.45388 262.3
[M+Na]+ 757.43582 266.8
[M-H]- 733.43932 257.4
[M+NH4]+ 752.48042 262.0
[M+K]+ 773.40976 252.8
[M+H-H2O]+ 717.44386 245.4
[M+HCOO]- 779.44480 263.3
[M+CH3COO]- 793.46045 291.1
[M+Na-2H]- 755.42127 274.0
[M]+ 734.44605 267.0
[M]- 734.44715 267.0
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

No patent data available for this compound.