CID 121225703

Piptocarphin f

Structural Information

Molecular Formula
C21H28O8
SMILES
CCOCC1=C/2[C@@H](C[C@@]([C@@]3(CC[C@@](O3)(/C=C2/OC1=O)C)O)(C)O)OC(=O)C(=C)C
InChI
InChI=1S/C21H28O8/c1-6-26-11-13-16-14(28-18(13)23)9-19(4)7-8-21(25,29-19)20(5,24)10-15(16)27-17(22)12(2)3/h9,15,24-25H,2,6-8,10-11H2,1,3-5H3/b14-9+/t15-,19-,20-,21+/m1/s1
InChIKey
UBMOPFJLLXVNIM-ZUQHRPQWSA-N
Compound name
[(1R,2E,8R,10R,11S)-6-(ethoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18568 200.2
[M+Na]+ 431.16762 200.8
[M+NH4]+ 426.21222 201.1
[M+K]+ 447.14156 198.7
[M-H]- 407.17112 199.9
[M+Na-2H]- 429.15307 198.1
[M]+ 408.17785 200.3
[M]- 408.17895 200.3
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.