CID 490528

Deacetylconfertiflorin

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1C[C@@H](C2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C)O
InChI
InChI=1S/C15H20O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h7,9-10,12-13,16H,2,4-6H2,1,3H3/t7-,9-,10-,12?,13+,15-/m0/s1
InChIKey
XLRYOOUAAMONBB-DZAPBSOKSA-N
Compound name
(4S,6S,6aS,9aR,9bR)-4-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.6
[M+Na]+ 287.12539 164.9
[M-H]- 263.12889 163.7
[M+NH4]+ 282.16999 179.0
[M+K]+ 303.09933 163.7
[M+H-H2O]+ 247.13343 155.6
[M+HCOO]- 309.13437 172.2
[M+CH3COO]- 323.15002 197.7
[M+Na-2H]- 285.11084 157.0
[M]+ 264.13562 153.4
[M]- 264.13672 153.4
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.