CID 124519048

143601-07-4

Structural Information

Molecular Formula
C27H28O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)C5=CC=C(C=C5)OC)O)O)O
InChI
InChI=1S/C27H28O10/c1-12-19(29)21(31)22(32)26(34-12)36-25-20(30)18-16(28)11-17-15(9-10-27(2,3)37-17)24(18)35-23(25)13-5-7-14(33-4)8-6-13/h5-12,19,21-22,26,28-29,31-32H,1-4H3/t12-,19-,21+,22+,26-/m0/s1
InChIKey
HFACBAJBHOSYOZ-GULSFEPBSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.1683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.17558 224.2
[M+Na]+ 535.15752 232.3
[M-H]- 511.16102 233.5
[M+NH4]+ 530.20212 227.9
[M+K]+ 551.13146 234.0
[M+H-H2O]+ 495.16556 213.5
[M+HCOO]- 557.16650 230.9
[M+CH3COO]- 571.18215 243.6
[M+Na-2H]- 533.14297 224.7
[M]+ 512.16775 230.4
[M]- 512.16885 230.4
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.