CID 131752649

Ent-15,16-epoxy-1(10),13(16),14-halimatrien-19-oic acid

Structural Information

Molecular Formula
C20H28O3
SMILES
CC1CCC2C(=CCCC2(C)C(=O)O)C1(C)CCC3=COC=C3
InChI
InChI=1S/C20H28O3/c1-14-6-7-17-16(5-4-10-20(17,3)18(21)22)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)
InChIKey
ULDQVWIHFPQAFF-UHFFFAOYSA-N
Compound name
5-[2-(furan-3-yl)ethyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 176.5
[M+Na]+ 339.19308 186.9
[M+NH4]+ 334.23768 187.3
[M+K]+ 355.16702 178.6
[M-H]- 315.19658 180.8
[M+Na-2H]- 337.17853 182.2
[M]+ 316.20331 179.5
[M]- 316.20441 179.5
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.