CID 6447836

101512-91-8

Structural Information

Molecular Formula
C33H55NO10
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(CC)O
InChI
InChI=1S/C33H55NO10/c1-9-24(36)23-15-18(3)11-12-25(37)19(4)16-22(13-14-35)32(20(5)26(38)17-28(39)43-27(23)10-2)44-33-31(41)29(34(7)8)30(40)21(6)42-33/h11-12,14-15,19-24,26-27,29-33,36,38,40-41H,9-10,13,16-17H2,1-8H3/b12-11-,18-15+
InChIKey
AMJFTYAWQZPVCL-MKOTVRJLSA-N
Compound name
2-[(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(1-hydroxypropyl)-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

625.38257 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.38985 246.2
[M+Na]+ 648.37179 250.5
[M+NH4]+ 643.41639 244.3
[M+K]+ 664.34573 250.1
[M-H]- 624.37529 248.6
[M+Na-2H]- 646.35724 240.8
[M]+ 625.38202 246.4
[M]- 625.38312 246.4
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.