CID 171120130

Elephantopinolide f

Structural Information

Molecular Formula
C19H22O6
SMILES
C[C@H]1C2[C@H](CC3=C[C@@H](C/C(=C/[C@H]2OC1=O)/C)OC3=O)OC(=O)C(=C)C
InChI
InChI=1S/C19H22O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,11,13-16H,1,5,8H2,2-4H3/b10-6+/t11-,13+,14+,15-,16?/m0/s1
InChIKey
HVTBNYMRHSJGHK-ZYPOIOKMSA-N
Compound name
[(3S,5S,8R,9E,12R)-5,10-dimethyl-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 175.4
[M+Na]+ 369.13085 183.0
[M-H]- 345.13435 178.5
[M+NH4]+ 364.17545 190.1
[M+K]+ 385.10479 183.1
[M+H-H2O]+ 329.13889 176.2
[M+HCOO]- 391.13983 189.2
[M+CH3COO]- 405.15548 211.6
[M+Na-2H]- 367.11630 172.6
[M]+ 346.14108 177.7
[M]- 346.14218 177.7
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

No patent data available for this compound.