CID 6447835

101512-88-3

Structural Information

Molecular Formula
C32H53NO10
SMILES
CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)\C)C(C)O
InChI
InChI=1S/C32H53NO10/c1-9-26-23(20(5)35)14-17(2)10-11-24(36)18(3)15-22(12-13-34)31(19(4)25(37)16-27(38)42-26)43-32-30(40)28(33(7)8)29(39)21(6)41-32/h10-11,13-14,18-23,25-26,28-32,35,37,39-40H,9,12,15-16H2,1-8H3/b11-10-,17-14+
InChIKey
BIUOCAGCXPTSJW-DGLSXKDYSA-N
Compound name
2-[(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(1-hydroxyethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.36694 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.37422 248.5
[M+Na]+ 634.35616 249.7
[M-H]- 610.35966 251.1
[M+NH4]+ 629.40076 244.0
[M+K]+ 650.33010 251.5
[M+H-H2O]+ 594.36420 245.3
[M+HCOO]- 656.36514 251.2
[M+CH3COO]- 670.38079 264.7
[M+Na-2H]- 632.34161 234.5
[M]+ 611.36639 247.2
[M]- 611.36749 247.2
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.