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 242.2
[M+Na]+ 634.35616 246.6
[M+NH4]+ 629.40076 240.4
[M+K]+ 650.33010 246.5
[M-H]- 610.35966 244.6
[M+Na-2H]- 632.34161 237.0
[M]+ 611.36639 242.4
[M]- 611.36749 242.4
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.