CID 44257642

Fulvinervin c

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C=CC2=C3C(=C(C(=C2O1)/C=C/C(C)(C)O)O)C(=O)C=C(O3)C4=CC=CC=C4)C
InChI
InChI=1S/C25H24O5/c1-24(2,28)12-10-16-21(27)20-18(26)14-19(15-8-6-5-7-9-15)29-23(20)17-11-13-25(3,4)30-22(16)17/h5-14,27-28H,1-4H3/b12-10+
InChIKey
BXQGCKPPJCXQCL-ZRDIBKRKSA-N
Compound name
5-hydroxy-6-[(E)-3-hydroxy-3-methylbut-1-enyl]-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16238 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 199.2
[M+Na]+ 427.15160 208.9
[M-H]- 403.15510 207.2
[M+NH4]+ 422.19620 210.5
[M+K]+ 443.12554 205.8
[M+H-H2O]+ 387.15964 190.7
[M+HCOO]- 449.16058 212.2
[M+CH3COO]- 463.17623 222.7
[M+Na-2H]- 425.13705 205.0
[M]+ 404.16183 203.6
[M]- 404.16293 203.6
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

No patent data available for this compound.