CID 12312669

Fca33276

Structural Information

Molecular Formula
C27H44O5
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)O)O)C)O)C)C)OC1
InChI
InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3
InChIKey
FYRLHXNMINIDCB-UHFFFAOYSA-N
Compound name
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

448.31888 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.32616 210.5
[M+Na]+ 471.30810 215.7
[M+NH4]+ 466.35270 222.6
[M+K]+ 487.28204 208.9
[M-H]- 447.31160 214.6
[M+Na-2H]- 469.29355 206.7
[M]+ 448.31833 212.5
[M]- 448.31943 212.5
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

patents stripe