CID 15954358

Chembl206318

Structural Information

Molecular Formula
C24H30O5
SMILES
CCO[C@H]1[C@@H](O[C@@H]2CO[C@H](O[C@H]2[C@@H]1OCC)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H30O5/c1-3-25-21-19(15-17-11-7-5-8-12-17)28-20-16-27-24(18-13-9-6-10-14-18)29-22(20)23(21)26-4-2/h5-14,19-24H,3-4,15-16H2,1-2H3/t19-,20+,21-,22+,23+,24+/m0/s1
InChIKey
ZYIZIZHKFCBWPW-KRQQGRSYSA-N
Compound name
(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-diethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

398.20932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21660 199.2
[M+Na]+ 421.19854 202.6
[M-H]- 397.20204 209.9
[M+NH4]+ 416.24314 206.4
[M+K]+ 437.17248 202.5
[M+H-H2O]+ 381.20658 188.6
[M+HCOO]- 443.20752 211.8
[M+CH3COO]- 457.22317 207.5
[M+Na-2H]- 419.18399 201.1
[M]+ 398.20877 200.7
[M]- 398.20987 200.7
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.