CID 131752044

Yuccaol a

Structural Information

Molecular Formula
C29H20O8
SMILES
C1=CC(=CC=C1/C=C/C2=C3C(=CC(=C2)O)OC(=O)C34C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C29H20O8/c30-18-7-2-15(3-8-18)1-4-17-11-20(32)13-23-25(17)29(28(35)37-23)26-22(34)12-21(33)14-24(26)36-27(29)16-5-9-19(31)10-6-16/h1-14,27,30-34H/b4-1+
InChIKey
YOJXOIWMUVWNAB-DAFODLJHSA-N
Compound name
4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.12308 216.9
[M+Na]+ 519.10502 231.0
[M+NH4]+ 514.14962 223.6
[M+K]+ 535.07896 227.3
[M-H]- 495.10852 224.3
[M+Na-2H]- 517.09047 220.8
[M]+ 496.11525 221.2
[M]- 496.11635 221.2
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.