CID 131751916

(1beta,8beta)-1,8-dihydroxy-3,7(11)-eudesmadien-12,8-olide

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=CCC(C2(C1CC3=C(C(=O)OC3(C2)O)C)C)O
InChI
InChI=1S/C15H20O4/c1-8-4-5-12(16)14(3)7-15(18)11(6-10(8)14)9(2)13(17)19-15/h4,10,12,16,18H,5-7H2,1-3H3
InChIKey
OHYLFUASNKOIGF-UHFFFAOYSA-N
Compound name
8,9a-dihydroxy-3,5,8a-trimethyl-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.5
[M+Na]+ 287.12539 167.0
[M-H]- 263.12889 161.4
[M+NH4]+ 282.16999 180.2
[M+K]+ 303.09933 164.0
[M+H-H2O]+ 247.13343 154.1
[M+HCOO]- 309.13437 171.5
[M+CH3COO]- 323.15002 193.8
[M+Na-2H]- 285.11084 161.8
[M]+ 264.13562 157.1
[M]- 264.13672 157.1
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.