CID 168311957

Sartorypyrone d

Structural Information

Molecular Formula
C26H38O4
SMILES
CC1=CC(=C(C(=O)O1)CC=C(C)CCC=C(C)CCC2C(=C)CCC(C2(C)C)O)O
InChI
InChI=1S/C26H38O4/c1-17(10-13-21-23(27)16-20(4)30-25(21)29)8-7-9-18(2)11-14-22-19(3)12-15-24(28)26(22,5)6/h9-10,16,22,24,27-28H,3,7-8,11-15H2,1-2,4-6H3
InChIKey
YFZBONHCMBXFDD-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dienyl]-6-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

414.277 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28428 202.6
[M+Na]+ 437.26622 207.2
[M-H]- 413.26972 206.3
[M+NH4]+ 432.31082 213.2
[M+K]+ 453.24016 202.3
[M+H-H2O]+ 397.27426 196.1
[M+HCOO]- 459.27520 214.2
[M+CH3COO]- 473.29085 227.1
[M+Na-2H]- 435.25167 196.8
[M]+ 414.27645 203.1
[M]- 414.27755 203.1
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.