CID 57380109

Olympicin a

Structural Information

Molecular Formula
C21H30O4
SMILES
CC[C@H](C)C(=O)C1=C(C=C(C=C1OC/C=C(\C)/CCC=C(C)C)O)O
InChI
InChI=1S/C21H30O4/c1-6-16(5)21(24)20-18(23)12-17(22)13-19(20)25-11-10-15(4)9-7-8-14(2)3/h8,10,12-13,16,22-23H,6-7,9,11H2,1-5H3/b15-10+/t16-/m0/s1
InChIKey
UMIJNJJRYSRDPG-KMPOOHAWSA-N
Compound name
(2S)-1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

346.21442 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 186.5
[M+Na]+ 369.20364 190.4
[M-H]- 345.20714 186.5
[M+NH4]+ 364.24824 198.7
[M+K]+ 385.17758 186.6
[M+H-H2O]+ 329.21168 179.9
[M+HCOO]- 391.21262 201.5
[M+CH3COO]- 405.22827 213.7
[M+Na-2H]- 367.18909 180.6
[M]+ 346.21387 189.2
[M]- 346.21497 189.2
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.