CID 171118748

1,10-epoxydeltoidin a

Structural Information

Molecular Formula
C19H26O6
SMILES
C/C=C(/C)\C(=O)O[C@@H]1C[C@]2([C@H](O2)CC[C@@]3([C@@H](O3)[C@@H]4[C@@H]1CC(=O)O4)C)C
InChI
InChI=1S/C19H26O6/c1-5-10(2)17(21)22-12-9-19(4)13(24-19)6-7-18(3)16(25-18)15-11(12)8-14(20)23-15/h5,11-13,15-16H,6-9H2,1-4H3/b10-5-/t11-,12-,13-,15+,16+,18-,19+/m1/s1
InChIKey
ODHOUUHGBKXLJZ-ILPIULFJSA-N
Compound name
[(1S,2S,4R,7R,9S,11R,12R)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-11-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17294 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 178.2
[M+Na]+ 373.16216 185.0
[M-H]- 349.16566 183.4
[M+NH4]+ 368.20676 182.9
[M+K]+ 389.13610 189.0
[M+H-H2O]+ 333.17020 179.6
[M+HCOO]- 395.17114 183.5
[M+CH3COO]- 409.18679 218.0
[M+Na-2H]- 371.14761 179.2
[M]+ 350.17239 185.5
[M]- 350.17349 185.5
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.