CID 6475981

(3r,4ar,7ar)-3-[(e)-2,6-dimethyl-8-phenyl-oct-6-enyl]-7a-hydroxy-3,4a-dimethyl-4,7-dihydrofuro[3,2-c][1,2]dioxin-6-one

Structural Information

Molecular Formula
C24H34O5
SMILES
CC(CCC/C(=C/CC1=CC=CC=C1)/C)C[C@@]2(C[C@@]3([C@@](CC(=O)O3)(OO2)O)C)C
InChI
InChI=1S/C24H34O5/c1-18(13-14-20-11-6-5-7-12-20)9-8-10-19(2)15-22(3)17-23(4)24(26,29-28-22)16-21(25)27-23/h5-7,11-13,19,26H,8-10,14-17H2,1-4H3/b18-13+/t19?,22-,23-,24-/m1/s1
InChIKey
UKQVHATZFXVPJW-OYTRITCGSA-N
Compound name
(3R,4aR,7aR)-3-[(E)-2,6-dimethyl-8-phenyloct-6-enyl]-7a-hydroxy-3,4a-dimethyl-4,7-dihydrofuro[3,2-c][1,2]dioxin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.24063 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24791 198.3
[M+Na]+ 425.22985 202.4
[M-H]- 401.23335 204.8
[M+NH4]+ 420.27445 212.8
[M+K]+ 441.20379 202.2
[M+H-H2O]+ 385.23789 193.0
[M+HCOO]- 447.23883 208.9
[M+CH3COO]- 461.25448 220.2
[M+Na-2H]- 423.21530 199.9
[M]+ 402.24008 201.2
[M]- 402.24118 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.