CID 638296

Averufin

Structural Information

Molecular Formula
C20H16O7
SMILES
C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O
InChI
InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
InChIKey
RYFFZJHGQCKWMV-YUNKPMOVSA-N
Compound name
(1S,17S)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

42
Patents

368.0896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 179.3
[M+Na]+ 391.07882 188.8
[M-H]- 367.08232 182.8
[M+NH4]+ 386.12342 193.7
[M+K]+ 407.05276 186.7
[M+H-H2O]+ 351.08686 171.4
[M+HCOO]- 413.08780 185.8
[M+CH3COO]- 427.10345 188.7
[M+Na-2H]- 389.06427 186.2
[M]+ 368.08905 181.0
[M]- 368.09015 181.0
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.