CID 15391030

Dorsilurin b

Structural Information

Molecular Formula
C30H34O7
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=C(C=C(C=C4)O)O)CC=C(C)C)CC(C(O2)(C)C)O)C
InChI
InChI=1S/C30H34O7/c1-15(2)7-10-19-25(34)24-26(35)20(11-8-16(3)4)28-21(14-23(33)30(5,6)37-28)29(24)36-27(19)18-12-9-17(31)13-22(18)32/h7-9,12-13,23,31-33,35H,10-11,14H2,1-6H3
InChIKey
WVJAFZBCRQLHMH-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.23044 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23772 227.0
[M+Na]+ 529.21966 234.5
[M-H]- 505.22316 231.9
[M+NH4]+ 524.26426 233.0
[M+K]+ 545.19360 231.6
[M+H-H2O]+ 489.22770 218.6
[M+HCOO]- 551.22864 233.4
[M+CH3COO]- 565.24429 244.7
[M+Na-2H]- 527.20511 223.1
[M]+ 506.22989 231.3
[M]- 506.23099 231.3
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.