CID 4615087

[4-(3-acetyloxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1h-naphthalen-1-yl] acetate

Structural Information

Molecular Formula
C24H38O4
SMILES
CC(=O)OC1CC(=C)C(C2(C1C(CCC2)(C)C)C)CCC(C)(C=C)OC(=O)C
InChI
InChI=1S/C24H38O4/c1-9-23(7,28-18(4)26)14-11-19-16(2)15-20(27-17(3)25)21-22(5,6)12-10-13-24(19,21)8/h9,19-21H,1-2,10-15H2,3-8H3
InChIKey
CFEOXVWJRPHLSF-UHFFFAOYSA-N
Compound name
[4-(3-acetyloxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.277 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 195.6
[M+Na]+ 413.26622 202.6
[M+NH4]+ 408.31082 203.3
[M+K]+ 429.24016 194.0
[M-H]- 389.26972 194.6
[M+Na-2H]- 411.25167 197.4
[M]+ 390.27645 196.3
[M]- 390.27755 196.3
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.