CID 24758070

Lappaol h

Structural Information

Molecular Formula
C40H46O14
SMILES
COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3COC(=O)C3CC4=CC(=C(C(=C4)OC)O)C(CO)C(C5=CC(=C(C=C5)O)OC)O
InChI
InChI=1S/C40H46O14/c1-50-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-20(13-34(52-3)38(26)47)9-24-19-54-40(49)25(24)10-21-12-27(39(48)35(14-21)53-4)29(18-42)37(46)23-6-8-31(44)33(16-23)51-2/h5-8,11-16,24-25,28-29,36-37,41-48H,9-10,17-19H2,1-4H3
InChIKey
ZBAWFXNLUOUBMU-UHFFFAOYSA-N
Compound name
3,4-bis[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

750.28876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.29604 268.5
[M+Na]+ 773.27798 271.9
[M+NH4]+ 768.32258 270.5
[M+K]+ 789.25192 272.6
[M-H]- 749.28148 264.9
[M+Na-2H]- 771.26343 285.5
[M]+ 750.28821 269.0
[M]- 750.28931 269.0
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

patents stripe