CID 14132199

Riccardin d

Structural Information

Molecular Formula
C28H24O4
SMILES
C1CC2=C(C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O)C(=CC=C2)O
InChI
InChI=1S/C28H24O4/c29-24-15-10-20-5-4-19-9-14-23(26(31)16-19)28-21(2-1-3-25(28)30)11-6-18-7-12-22(13-8-18)32-27(24)17-20/h1-3,7-10,12-17,29-31H,4-6,11H2
InChIKey
CAILVWNDCKNABC-UHFFFAOYSA-N
Compound name
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-3,16,24-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

12
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 199.6
[M+Na]+ 447.15667 193.8
[M-H]- 423.16017 180.7
[M+NH4]+ 442.20127 204.1
[M+K]+ 463.13061 196.2
[M+H-H2O]+ 407.16471 198.6
[M+HCOO]- 469.16565 191.9
[M+CH3COO]- 483.18130 196.7
[M+Na-2H]- 445.14212 205.3
[M]+ 424.16690 195.9
[M]- 424.16800 195.9
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