CID 131752846

Artomunoxanthentrione epoxide

Structural Information

Molecular Formula
C26H22O8
SMILES
CC(=C)C1=CC23C(C4(C1C(=O)C(=CC4=O)OC)O2)OC5=C(C3=O)C(=CC6=C5C=CC(O6)(C)C)O
InChI
InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3
InChIKey
NDLOJOBMSNOREU-UHFFFAOYSA-N
Compound name
12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[13.7.1.01,18.02,15.04,13.05,10]tricosa-4(13),5(10),6,11,16,20-hexaene-14,19,22-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.13147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.13875 207.0
[M+Na]+ 485.12069 213.6
[M-H]- 461.12419 212.7
[M+NH4]+ 480.16529 215.9
[M+K]+ 501.09463 217.6
[M+H-H2O]+ 445.12873 191.4
[M+HCOO]- 507.12967 207.5
[M+CH3COO]- 521.14532 213.8
[M+Na-2H]- 483.10614 213.1
[M]+ 462.13092 223.4
[M]- 462.13202 223.4
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.