CID 53355906

Chrysogeside e

Structural Information

Molecular Formula
C41H77NO9
SMILES
CCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCCC)O)O
InChI
InChI=1S/C41H77NO9/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1
InChIKey
AXAOTVYUULFFTE-FRJHFHMPSA-N
Compound name
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadeca-4,8-dien-2-yl]nonadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

727.5598 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 728.56708 275.9
[M+Na]+ 750.54902 277.7
[M-H]- 726.55252 270.5
[M+NH4]+ 745.59362 273.5
[M+K]+ 766.52296 279.8
[M+H-H2O]+ 710.55706 273.2
[M+HCOO]- 772.55800 271.5
[M+CH3COO]- 786.57365 281.5
[M+Na-2H]- 748.53447 255.1
[M]+ 727.55925 268.6
[M]- 727.56035 268.6
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.