CID 101392635

(4r)-3-[(s)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC(=O)C2[C@@H](C3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C20H22O7/c1-25-16-8-11(3-5-14(16)21)7-13-10-27-20(24)18(13)19(23)12-4-6-15(22)17(9-12)26-2/h3-6,8-9,13,18-19,21-23H,7,10H2,1-2H3/t13-,18?,19+/m0/s1
InChIKey
ZZSOKNNVDKKSDE-LPHKOSDUSA-N
Compound name
(4R)-3-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 187.1
[M+Na]+ 397.12579 198.0
[M+NH4]+ 392.17039 191.8
[M+K]+ 413.09973 196.2
[M-H]- 373.12929 190.7
[M+Na-2H]- 395.11124 190.4
[M]+ 374.13602 189.3
[M]- 374.13712 189.3
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.