CID 71435521

3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-3',16,19-triol

Structural Information

Molecular Formula
C27H44O5
SMILES
CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(C5)O)C)O)C)OC16CCC(CO6)(C)O
InChI
InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3
InChIKey
ILVZNZHXRYGRGV-UHFFFAOYSA-N
Compound name
3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-3',16,19-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.31888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.32616 209.6
[M+Na]+ 471.30810 214.3
[M+NH4]+ 466.35270 222.9
[M+K]+ 487.28204 205.9
[M-H]- 447.31160 213.4
[M+Na-2H]- 469.29355 207.5
[M]+ 448.31833 211.7
[M]- 448.31943 211.7
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.