CID 13831041

Isoriccardin c

Structural Information

Molecular Formula
C28H24O4
SMILES
C1CC2=CC(=C(C=C2)C3=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=CC=C3O)O
InChI
InChI=1S/C28H24O4/c29-24-15-10-20-6-11-21-2-1-3-25(30)28(21)23-14-9-19(16-26(23)31)5-4-18-7-12-22(13-8-18)32-27(24)17-20/h1-3,7-10,12-17,29-31H,4-6,11H2
InChIKey
ZKRAPLUKBRYFFL-UHFFFAOYSA-N
Compound name
15-oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

424.16745 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17473 203.1
[M+Na]+ 447.15667 198.3
[M-H]- 423.16017 186.0
[M+NH4]+ 442.20127 209.8
[M+K]+ 463.13061 199.5
[M+H-H2O]+ 407.16471 200.6
[M+HCOO]- 469.16565 196.2
[M+CH3COO]- 483.18130 201.1
[M+Na-2H]- 445.14212 209.8
[M]+ 424.16690 201.5
[M]- 424.16800 201.5
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.