CID 565570

Pollinasterol

Structural Information

Molecular Formula
C28H48O
SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C
InChI
InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3
InChIKey
HXQRIQXPGMPSRW-UHFFFAOYSA-N
Compound name
12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

400.3705 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37778 201.3
[M+Na]+ 423.35972 210.1
[M+NH4]+ 418.40432 216.7
[M+K]+ 439.33366 198.4
[M-H]- 399.36322 211.9
[M+Na-2H]- 421.34517 207.3
[M]+ 400.36995 207.4
[M]- 400.37105 207.4
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