CID 6433891

Zygosporin g

Structural Information

Molecular Formula
C30H37NO5
SMILES
C[C@H]1C/C=C/[C@H]2CC(=C)[C@H]([C@@H]3C2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C
InChI
InChI=1S/C30H37NO5/c1-18-10-9-13-23-16-19(2)20(3)26-24(17-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)27(18)33/h6-9,11-15,18,20,23-26,35H,2,10,16-17H2,1,3-5H3,(H,31,34)/b13-9+,15-14+/t18-,20+,23-,24-,25+,26-,29+,30?/m0/s1
InChIKey
DHLDFXDKZABSPV-KOTMSFJFSA-N
Compound name
[(2R,3E,5R,7S,9E,11R,14S,15R,16S)-16-benzyl-5-hydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.26718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.27446 218.3
[M+Na]+ 514.25640 223.5
[M-H]- 490.25990 220.6
[M+NH4]+ 509.30100 227.7
[M+K]+ 530.23034 218.1
[M+H-H2O]+ 474.26444 214.2
[M+HCOO]- 536.26538 225.6
[M+CH3COO]- 550.28103 234.6
[M+Na-2H]- 512.24185 211.4
[M]+ 491.26663 212.7
[M]- 491.26773 212.7
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

patents stripe