CID 157009833

(4r)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one

Structural Information

Molecular Formula
C30H34O10
SMILES
COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)C[C@@H]3C(OCC3=O)CC4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C30H34O10/c1-37-26-11-16(4-6-22(26)32)10-25-20(24(34)15-40-25)9-17-8-19(30(36)28(12-17)39-3)21(14-31)29(35)18-5-7-23(33)27(13-18)38-2/h4-8,11-13,20-21,25,29,31-33,35-36H,9-10,14-15H2,1-3H3/t20-,21?,25?,29?/m0/s1
InChIKey
VATSUWAZXUGJHK-ZVNSVDPLSA-N
Compound name
(4R)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.2152 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.22248 229.9
[M+Na]+ 577.20442 232.3
[M-H]- 553.20792 237.3
[M+NH4]+ 572.24902 230.8
[M+K]+ 593.17836 231.7
[M+H-H2O]+ 537.21246 220.4
[M+HCOO]- 599.21340 240.1
[M+CH3COO]- 613.22905 246.5
[M+Na-2H]- 575.18987 221.7
[M]+ 554.21465 234.7
[M]- 554.21575 234.7
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.