CID 4615087

((4as)-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

5
References

7
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 192.6
[M+Na]+ 413.26622 196.4
[M-H]- 389.26972 195.0
[M+NH4]+ 408.31082 209.5
[M+K]+ 429.24016 193.7
[M+H-H2O]+ 373.27426 188.4
[M+HCOO]- 435.27520 202.6
[M+CH3COO]- 449.29085 225.3
[M+Na-2H]- 411.25167 191.0
[M]+ 390.27645 193.1
[M]- 390.27755 193.1
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

patents stripe