CID 5276710

6-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione

Structural Information

Molecular Formula
C30H53NO10
SMILES
CC[C@@H]1[C@@]([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]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C30H53NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,24-26,28,34-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,24-,25-,26-,28+,29-,30-/m1/s1
InChIKey
NTICZHDOVJTHBD-BJAXOJCGSA-N
Compound name
(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

587.36694 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.37422 231.7
[M+Na]+ 610.35616 236.1
[M-H]- 586.35966 235.3
[M+NH4]+ 605.40076 233.7
[M+K]+ 626.33010 239.5
[M+H-H2O]+ 570.36420 231.9
[M+HCOO]- 632.36514 235.5
[M+CH3COO]- 646.38079 262.9
[M+Na-2H]- 608.34161 222.8
[M]+ 587.36639 233.5
[M]- 587.36749 233.5
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.