CID 6374435

6-angeloylfuranofukinol

Structural Information

Molecular Formula
C20H28O4
SMILES
C/C=C(\C)/C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
InChI
InChI=1S/C20H28O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6,10,13-15,18,21H,7-9H2,1-5H3/b11-6+
InChIKey
QSXNOUPYXMWUKT-IZZDOVSWSA-N
Compound name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.206036 180.3
[M+Na]+ 355.187978 186.6
[M-H]- 331.191484 184.3
[M+NH4]+ 350.232583 198.7
[M+K]+ 371.161918 183.8
[M+H-H2O]+ 315.196020 175.8
[M+HCOO]- 377.196961 192.2
[M+CH3COO]- 391.212611 211.3
[M+Na-2H]- 353.173426 178.6
[M]+ 332.19821142 180.6
[M]- 332.19930858 180.6
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.