CID 90658349

15-oxo spinosyn macrolactone

Structural Information

Molecular Formula
C24H36O6
SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C/C=C/[C@@H](C[C@@H](C/C=C/C=C/C=C/C(=O)O1)O)O)C)O
InChI
InChI=1S/C24H36O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-21,23,25-26,28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,23-/m0/s1
InChIKey
ILKUAQQLYUILBR-OCDAIGKOSA-N
Compound name
(3E,5E,7E,10R,12R,13E,17R,18S,22S)-22-ethyl-10,12,18-trihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraene-2,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

420.2512 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25848 195.3
[M+Na]+ 443.24042 204.0
[M+NH4]+ 438.28502 198.2
[M+K]+ 459.21436 199.7
[M-H]- 419.24392 198.6
[M+Na-2H]- 441.22587 198.0
[M]+ 420.25065 196.7
[M]- 420.25175 196.7
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.