CID 102068108

[(1r,2s,3r,5s,6r,8s,10e,12r,13s,16r,17s)-17-benzyl-6,13-dihydroxy-6,8,14,15-tetramethyl-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,14-dien-2-yl] acetate

Structural Information

Molecular Formula
C30H37NO7
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2([C@@H]([C@@H]4[C@H](O4)[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC5=CC=CC=C5)C)C)O
InChI
InChI=1S/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15,20-24,26-27,33,36H,10,14H2,1-5H3,(H,31,35)/b13-9+/t15-,20-,21-,22-,23+,24-,26-,27+,29-,30-/m0/s1
InChIKey
ZOSGFLUFAVFHCM-JYZXCPCISA-N
Compound name
[(1R,2S,3R,5S,6R,8S,10E,12R,13S,16R,17S)-17-benzyl-6,13-dihydroxy-6,8,14,15-tetramethyl-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,14-dien-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.257 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.26428 217.7
[M+Na]+ 546.24622 225.4
[M-H]- 522.24972 221.1
[M+NH4]+ 541.29082 220.9
[M+K]+ 562.22016 222.7
[M+H-H2O]+ 506.25426 216.9
[M+HCOO]- 568.25520 221.3
[M+CH3COO]- 582.27085 241.9
[M+Na-2H]- 544.23167 212.9
[M]+ 523.25645 220.1
[M]- 523.25755 220.1
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.