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 252.6
[M+Na]+ 648.37179 253.4
[M-H]- 624.37529 255.0
[M+NH4]+ 643.41639 247.5
[M+K]+ 664.34573 255.0
[M+H-H2O]+ 608.37983 249.2
[M+HCOO]- 670.38077 255.0
[M+CH3COO]- 684.39642 267.5
[M+Na-2H]- 646.35724 238.1
[M]+ 625.38202 251.6
[M]- 625.38312 251.6
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.