CID 42608043

Flemichin e

Structural Information

Molecular Formula
C30H34O7
SMILES
CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C5C(=C4)CC(C(O5)(C)C)O)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C30H34O7/c1-15(2)7-8-18-27-17(9-10-29(3,4)37-27)26(34)25-21(32)14-23(35-28(18)25)19-11-16-12-24(33)30(5,6)36-22(16)13-20(19)31/h7,9-11,13,23-24,31,33-34H,8,12,14H2,1-6H3
InChIKey
KUXXTDJGIYMELO-UHFFFAOYSA-N
Compound name
8-(3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.23044 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23772 226.4
[M+Na]+ 529.21966 234.1
[M-H]- 505.22316 233.3
[M+NH4]+ 524.26426 234.3
[M+K]+ 545.19360 233.1
[M+H-H2O]+ 489.22770 216.8
[M+HCOO]- 551.22864 229.2
[M+CH3COO]- 565.24429 246.2
[M+Na-2H]- 527.20511 225.6
[M]+ 506.22989 229.3
[M]- 506.23099 229.3
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.