CID 74426514

1alpha-hydroxyarbusculin a

Structural Information

Molecular Formula
C15H22O4
SMILES
CC12CCC3C(C1C(CCC2O)(C)O)OC(=O)C3=C
InChI
InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3
InChIKey
LVABKRFKENTQBT-UHFFFAOYSA-N
Compound name
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 159.4
[M+Na]+ 289.14102 167.1
[M-H]- 265.14452 162.3
[M+NH4]+ 284.18562 181.6
[M+K]+ 305.11496 163.7
[M+H-H2O]+ 249.14906 156.2
[M+HCOO]- 311.15000 170.5
[M+CH3COO]- 325.16565 194.0
[M+Na-2H]- 287.12647 161.8
[M]+ 266.15125 155.2
[M]- 266.15235 155.2
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.