CID 510366

(2r,3r,6r,8r,9r,10r,16r,18r)-9-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-13-methylene-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,17-trione

Structural Information

Molecular Formula
C33H55NO10
SMILES
CC[C@@H]1[C@@](C2[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)(OCC(=C)CO2)C)C)C)(C)O
InChI
InChI=1S/C33H55NO10/c1-12-24-33(9,39)29-20(5)25(35)18(3)14-32(8,41-16-17(2)15-40-29)28(21(6)26(36)22(7)30(38)43-24)44-31-27(37)23(34(10)11)13-19(4)42-31/h18-24,27-29,31,37,39H,2,12-16H2,1,3-11H3/t18-,19-,20+,21+,22-,23+,24-,27-,28-,29?,31+,32-,33-/m1/s1
InChIKey
JPIMQQSZNYYTQT-NQGFMPBTSA-N
Compound name
(2R,3R,6R,8R,9R,10R,16R,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-13-methylidene-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,17-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.38257 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.38985 250.8
[M+Na]+ 648.37179 254.3
[M-H]- 624.37529 248.8
[M+NH4]+ 643.41639 249.3
[M+K]+ 664.34573 258.7
[M+H-H2O]+ 608.37983 254.4
[M+HCOO]- 670.38077 246.1
[M+CH3COO]- 684.39642 270.1
[M+Na-2H]- 646.35724 289.0
[M]+ 625.38202 251.3
[M]- 625.38312 251.3
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.