CID 90657140

11-dehydro-15-oxo spinosyn macrolactone

Structural Information

Molecular Formula
C24H34O5
SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)/C=C/C=C\C[C@@H](C/C=C/C=C/C=C/C(=O)O1)O)C)O
InChI
InChI=1S/C24H34O5/c1-3-21-15-12-17-23(27)19(2)22(26)16-10-7-9-14-20(25)13-8-5-4-6-11-18-24(28)29-21/h4-11,16,18-21,23,25,27H,3,12-15,17H2,1-2H3/b6-4+,8-5+,9-7-,16-10+,18-11+/t19-,20+,21-,23-/m0/s1
InChIKey
JEKALMRMHDPSQK-UFLMJPHWSA-N
Compound name
(3E,5E,7E,10R,12Z,14E,17R,18S,22S)-22-ethyl-10,18-dihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,12,14-pentaene-2,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

402.24063 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24791 191.4
[M+Na]+ 425.22985 201.7
[M+NH4]+ 420.27445 195.4
[M+K]+ 441.20379 196.1
[M-H]- 401.23335 195.9
[M+Na-2H]- 423.21530 196.2
[M]+ 402.24008 193.5
[M]- 402.24118 193.5
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.