CID 6475698

Isosarcophytoxide

Structural Information

Molecular Formula
C20H30O2
SMILES
C/C/1=C\CC/C(=C/[C@@H]2C(=C(CO2)C)CC[C@]3([C@@H](O3)CC1)C)/C
InChI
InChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19+,20+/m1/s1
InChIKey
HACHOOOQCLDTSB-FYMBVOBGSA-N
Compound name
(4S,6S,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.22458 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 165.5
[M+Na]+ 325.21380 174.2
[M-H]- 301.21730 171.5
[M+NH4]+ 320.25840 177.1
[M+K]+ 341.18774 174.7
[M+H-H2O]+ 285.22184 164.7
[M+HCOO]- 347.22278 179.8
[M+CH3COO]- 361.23843 176.3
[M+Na-2H]- 323.19925 167.9
[M]+ 302.22403 166.6
[M]- 302.22513 166.6
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.