CID 11703004

Eunicea sesquiterpenoid 7

Structural Information

Molecular Formula
C20H28O5
SMILES
C/C/1=C\[C@@H]([C@@H](CCC(=C)C(=O)CC1)C(=O)C)OC(=O)/C=C/C(C)(C)O
InChI
InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1
InChIKey
WNLDPFSWPBREOU-SURQFZOFSA-N
Compound name
[(1S,2E,10R)-10-acetyl-3-methyl-7-methylidene-6-oxocyclodec-2-en-1-yl] (E)-4-hydroxy-4-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.19366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20094 177.6
[M+Na]+ 371.18288 182.3
[M-H]- 347.18638 176.7
[M+NH4]+ 366.22748 188.0
[M+K]+ 387.15682 179.9
[M+H-H2O]+ 331.19092 175.6
[M+HCOO]- 393.19186 191.0
[M+CH3COO]- 407.20751 208.5
[M+Na-2H]- 369.16833 173.5
[M]+ 348.19311 174.5
[M]- 348.19421 174.5
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.