CID 6445207

6,12-tetrahydrolankacidin c

Structural Information

Molecular Formula
C25H37NO7
SMILES
CC1C2CC(CC/C(=C\CC(CC/C(=C\C(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O
InChI
InChI=1S/C25H37NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6,12,16,18-21,28-29H,7-11,13H2,1-5H3,(H,26,31)/b14-6-,15-12-
InChIKey
CINWLUMXFDGBLU-DZGURXQASA-N
Compound name
N-[(3Z,9Z)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,9-dien-2-yl]-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.257 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.26428 209.2
[M+Na]+ 486.24622 212.1
[M+NH4]+ 481.29082 213.9
[M+K]+ 502.22016 206.2
[M-H]- 462.24972 200.3
[M+Na-2H]- 484.23167 193.8
[M]+ 463.25645 206.2
[M]- 463.25755 206.2
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.