CID 11982272

Silydianin

Structural Information

Molecular Formula
C25H22O10
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
InChI
InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1
InChIKey
CYGIJEJDYJOUAN-JSGXPVSSSA-N
Compound name
(1R,3R,6R,7R,10R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

1345
Patents

482.1213 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12858 201.9
[M+Na]+ 505.11052 206.8
[M-H]- 481.11402 204.1
[M+NH4]+ 500.15512 212.5
[M+K]+ 521.08446 206.9
[M+H-H2O]+ 465.11856 194.4
[M+HCOO]- 527.11950 201.1
[M+CH3COO]- 541.13515 207.7
[M+Na-2H]- 503.09597 205.6
[M]+ 482.12075 207.6
[M]- 482.12185 207.6
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.