CID 101579733

N-formyl-175-l

Structural Information

Molecular Formula
C43H67NO11
SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C=O
InChI
InChI=1S/C43H67NO11/c1-10-27-13-12-14-36(55-38-16-15-35(25(5)51-38)44(7)22-45)24(4)39(47)34-20-32-30(33(34)21-37(46)53-27)17-23(3)29-18-28(19-31(29)32)54-43-42(49-9)41(50-11-2)40(48-8)26(6)52-43/h17,20,22,24-33,35-36,38,40-43H,10-16,18-19,21H2,1-9H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1
InChIKey
JLCMRILBRBSGDS-GDMNSMANSA-N
Compound name
N-[(2R,3S,6R)-6-[[(1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-13,21-dioxo-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

773.47144 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.47872 279.5
[M+Na]+ 796.46066 308.8
[M-H]- 772.46416 303.0
[M+NH4]+ 791.50526 306.2
[M+K]+ 812.43460 279.6
[M+H-H2O]+ 756.46870 278.0
[M+HCOO]- 818.46964 306.6
[M+CH3COO]- 832.48529 302.2
[M+Na-2H]- 794.44611 320.9
[M]+ 773.47089 311.8
[M]- 773.47199 311.8
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.