CID 132472705

Junceine

Structural Information

Molecular Formula
C18H27NO7
SMILES
CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(CO)O
InChI
InChI=1S/C18H27NO7/c1-10(2)13-15(21)26-12-5-7-19-6-4-11(14(12)19)8-25-16(22)18(24,9-20)17(13,3)23/h4,10,12-14,20,23-24H,5-9H2,1-3H3/t12-,13+,14-,17-,18+/m1/s1
InChIKey
AAVMGRPGPSSZBQ-FOOXYVKASA-N
Compound name
(1R,4R,5R,6R,16R)-5,6-dihydroxy-6-(hydroxymethyl)-5-methyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.17874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18602 180.7
[M+Na]+ 392.16796 187.2
[M-H]- 368.17146 179.4
[M+NH4]+ 387.21256 194.5
[M+K]+ 408.14190 187.3
[M+H-H2O]+ 352.17600 182.0
[M+HCOO]- 414.17694 188.0
[M+CH3COO]- 428.19259 206.9
[M+Na-2H]- 390.15341 179.7
[M]+ 369.17819 179.8
[M]- 369.17929 179.8
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.