CID 438356

Nsc633071

Structural Information

Molecular Formula
C30H22O10
SMILES
CC1=CC2=C(C(=C1)O)C(=O)OC2C34CC5=CC(=C6C(=C5C3C=CC(C4O)O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O
InChI
InChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3
InChIKey
PPESFXQGSSHUFR-UHFFFAOYSA-N
Compound name
1,4,6,9,10-pentahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl)-8,9,10,12a-tetrahydroindeno[1,2-a]anthracene-5,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.1213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.12858 221.7
[M+Na]+ 565.11052 230.5
[M-H]- 541.11402 227.7
[M+NH4]+ 560.15512 232.0
[M+K]+ 581.08446 227.3
[M+H-H2O]+ 525.11856 216.5
[M+HCOO]- 587.11950 224.9
[M+CH3COO]- 601.13515 228.0
[M+Na-2H]- 563.09597 219.1
[M]+ 542.12075 224.8
[M]- 542.12185 224.8
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.