CID 6713966

Austricin

Structural Information

Molecular Formula
C15H18O4
SMILES
C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C)O
InChI
InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3/t8-,10-,12-,13+,14+/m0/s1
InChIKey
YMUOZXZDDBRJEP-XUNJKSNWSA-N
Compound name
(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

26
Patents

262.1205 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 156.6
[M+Na]+ 285.109718 165.4
[M-H]- 261.113224 163.8
[M+NH4]+ 280.154323 176.9
[M+K]+ 301.083658 165.5
[M+H-H2O]+ 245.117760 154.7
[M+HCOO]- 307.118701 174.0
[M+CH3COO]- 321.134351 199.3
[M+Na-2H]- 283.095166 156.0
[M]+ 262.11995142 156.0
[M]- 262.12104858 156.0
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.