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]+ 303.231856 165.5
[M+Na]+ 325.213798 174.2
[M-H]- 301.217304 171.5
[M+NH4]+ 320.258403 177.1
[M+K]+ 341.187738 174.7
[M+H-H2O]+ 285.221840 164.7
[M+HCOO]- 347.222781 179.8
[M+CH3COO]- 361.238431 176.3
[M+Na-2H]- 323.199246 167.9
[M]+ 302.22403142 166.6
[M]- 302.22512858 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

literature stripe

Patent stripe

No patent data available for this compound.