CID 132556961

Sartorypyrone d

Structural Information

Molecular Formula
C26H38O4
SMILES
CC1=CC(=C(C(=O)O1)C/C=C(\C)/CC/C=C(\C)/CC[C@@H]2C(=C)CC[C@@H](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/b17-10+,18-9+/t22-,24+/m1/s1
InChIKey
YFZBONHCMBXFDD-JVRYRRRMSA-N
Compound name
4-hydroxy-3-[(2E,6E)-9-[(1R,3S)-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]+ 415.284276 202.6
[M+Na]+ 437.266218 207.2
[M-H]- 413.269724 206.3
[M+NH4]+ 432.310823 213.2
[M+K]+ 453.240158 202.3
[M+H-H2O]+ 397.274260 196.1
[M+HCOO]- 459.275201 214.2
[M+CH3COO]- 473.290851 227.1
[M+Na-2H]- 435.251666 196.8
[M]+ 414.27645142 203.1
[M]- 414.27754858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.