CID 16728091

(1r,5s)-1-(3-hydroxy-4-methoxy-phenyl)-5-(2-methoxyphenyl)-9,9-dimethyl-8,10-dioxaspiro[5.5]undecane-3,7,11-trione

Structural Information

Molecular Formula
C25H26O8
SMILES
CC1(OC(=O)C2([C@H](CC(=O)C[C@H]2C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)O)C(=O)O1)C
InChI
InChI=1S/C25H26O8/c1-24(2)32-22(28)25(23(29)33-24)17(14-9-10-21(31-4)19(27)11-14)12-15(26)13-18(25)16-7-5-6-8-20(16)30-3/h5-11,17-18,27H,12-13H2,1-4H3/t17-,18+/m1/s1
InChIKey
YVXQGHCULVRBOW-MSOLQXFVSA-N
Compound name
(7R,11S)-7-(3-hydroxy-4-methoxyphenyl)-11-(2-methoxyphenyl)-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.16278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17006 204.5
[M+Na]+ 477.15200 212.3
[M-H]- 453.15550 216.6
[M+NH4]+ 472.19660 214.0
[M+K]+ 493.12594 212.7
[M+H-H2O]+ 437.16004 194.9
[M+HCOO]- 499.16098 217.4
[M+CH3COO]- 513.17663 232.6
[M+Na-2H]- 475.13745 205.4
[M]+ 454.16223 207.5
[M]- 454.16333 207.5
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.