CID 102232211

Isolappaol a

Structural Information

Molecular Formula
C30H32O9
SMILES
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CC4C(COC4=O)CC5=CC(=C(C=C5)O)OC
InChI
InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)8-19-15-38-30(34)20(19)9-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3
InChIKey
YMWGUENGTNUIRA-UHFFFAOYSA-N
Compound name
3-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.20465 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.21193 229.6
[M+Na]+ 559.19387 241.3
[M+NH4]+ 554.23847 233.5
[M+K]+ 575.16781 240.4
[M-H]- 535.19737 236.8
[M+Na-2H]- 557.17932 231.0
[M]+ 536.20410 233.2
[M]- 536.20520 233.2
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.