CID 10735192

39931-87-8

Structural Information

Molecular Formula
C20H26O4
SMILES
C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6
InChI
InChI=1S/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14-,17-,18+,20+/m0/s1
InChIKey
BAMMJXIMVWLRCU-YAUBAPCASA-N
Compound name
(1'R,5'S,9'S,10'S,13'R)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

330.1831 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 179.8
[M+Na]+ 353.17232 191.1
[M+NH4]+ 348.21692 195.6
[M+K]+ 369.14626 182.7
[M-H]- 329.17582 194.9
[M+Na-2H]- 351.15777 186.7
[M]+ 330.18255 187.6
[M]- 330.18365 187.6
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

patents stripe