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]+ 333.20604 180.3
[M+Na]+ 355.18798 186.6
[M-H]- 331.19148 184.3
[M+NH4]+ 350.23258 198.7
[M+K]+ 371.16192 183.8
[M+H-H2O]+ 315.19602 175.8
[M+HCOO]- 377.19696 192.2
[M+CH3COO]- 391.21261 211.3
[M+Na-2H]- 353.17343 178.6
[M]+ 332.19821 180.6
[M]- 332.19931 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.