CID 6441441

Antibiotic t-2636d

Structural Information

Molecular Formula
C27H37NO8
SMILES
C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)O)\C)O)\C)OC(=O)C
InChI
InChI=1S/C27H37NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17-18,20-23,29,31H,10,14H2,1-6H3,(H,28,33)/b11-8-,12-9-,15-7-,16-13-/t17-,18-,20+,21-,22-,23?,27+/m1/s1
InChIKey
WDAIURVMANXCNS-NWNMNDNVSA-N
Compound name
[(1S,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-7-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.25192 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.25920 216.3
[M+Na]+ 526.24114 219.8
[M+NH4]+ 521.28574 220.2
[M+K]+ 542.21508 214.2
[M-H]- 502.24464 207.2
[M+Na-2H]- 524.22659 201.6
[M]+ 503.25137 213.3
[M]- 503.25247 213.3
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.