CID 3035536

Antibiotic k 73a

Structural Information

Molecular Formula
C24H27NO7
SMILES
C[C@@H]1[C@H]([C@@H](CC(O1)C2=CC3=C(C=C2)C(=O)C4=C(C3=O)[C@H](O[C@H]5[C@@H]4OC(=O)C5)C)N(C)C)O
InChI
InChI=1S/C24H27NO7/c1-10-19-20(24-17(30-10)9-18(26)32-24)22(28)13-6-5-12(7-14(13)23(19)29)16-8-15(25(3)4)21(27)11(2)31-16/h5-7,10-11,15-17,21,24,27H,8-9H2,1-4H3/t10-,11-,15-,16?,17-,21-,24+/m1/s1
InChIKey
NWPHOPMRDKFXFP-SIPAFCNMSA-N
Compound name
(11R,15R,17R)-5-[(4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

441.17874 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18602 205.0
[M+Na]+ 464.16796 211.6
[M-H]- 440.17146 215.7
[M+NH4]+ 459.21256 214.9
[M+K]+ 480.14190 211.7
[M+H-H2O]+ 424.17600 198.1
[M+HCOO]- 486.17694 213.7
[M+CH3COO]- 500.19259 241.6
[M+Na-2H]- 462.15341 202.2
[M]+ 441.17819 207.0
[M]- 441.17929 207.0
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.