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
2
Annotation Hits

40
References

1418
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 202.0
[M+Na]+ 505.11052 212.6
[M+NH4]+ 500.15512 209.2
[M+K]+ 521.08446 209.3
[M-H]- 481.11402 204.2
[M+Na-2H]- 503.09597 197.4
[M]+ 482.12075 204.1
[M]- 482.12185 204.1
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

patents stripe