CID 14759336

Cis-uvariamicin ib

Structural Information

Molecular Formula
C37H68O5
SMILES
CCCCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O
InChI
InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
InChIKey
UXILAQXAZFVOFT-UHFFFAOYSA-N
Compound name
4-[13-hydroxy-13-[5-(1-hydroxypentadecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.50665 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.51393 262.2
[M+Na]+ 615.49587 264.1
[M+NH4]+ 610.54047 245.1
[M+K]+ 631.46981 260.4
[M-H]- 591.49937 263.3
[M+Na-2H]- 613.48132 255.7
[M]+ 592.50610 262.2
[M]- 592.50720 262.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.