CID 86575703

[(4e,6e,10r,11s,14r)-11-hydroxy-7-isopropyl-4,10-dimethyl-15-oxabicyclo[8.4.1]pentadeca-4,6-dien-14-yl] acetate

Structural Information

Molecular Formula
C21H34O4
SMILES
C/C/1=C\C=C(/CC[C@@]2([C@H](CC[C@H](C(O2)CC1)OC(=O)C)O)C)\C(C)C
InChI
InChI=1S/C21H34O4/c1-14(2)17-8-6-15(3)7-9-19-18(24-16(4)22)10-11-20(23)21(5,25-19)13-12-17/h6,8,14,18-20,23H,7,9-13H2,1-5H3/b15-6+,17-8+/t18-,19?,20+,21-/m1/s1
InChIKey
WBISCKUUNCFNRQ-JGXDDBSASA-N
Compound name
[(1R,4E,6E,11R,14S)-14-hydroxy-1,7-dimethyl-4-propan-2-yl-15-oxabicyclo[8.4.1]pentadeca-4,6-dien-11-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.2457 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25298 179.9
[M+Na]+ 373.23492 182.7
[M-H]- 349.23842 180.6
[M+NH4]+ 368.27952 191.7
[M+K]+ 389.20886 185.8
[M+H-H2O]+ 333.24296 178.9
[M+HCOO]- 395.24390 190.0
[M+CH3COO]- 409.25955 210.6
[M+Na-2H]- 371.22037 178.6
[M]+ 350.24515 174.8
[M]- 350.24625 174.8
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.