CID 131751828

3,14-dihydroxy-11,13-dihydrocostunolide

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1C2CC/C(=C\CC(/C(=C\C2OC1=O)/C)O)/CO
InChI
InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7-,11-4+
InChIKey
KUERQAIAYCRGOB-WHIYXEERSA-N
Compound name
(6E,10Z)-9-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 158.2
[M+Na]+ 289.14102 165.5
[M-H]- 265.14452 158.4
[M+NH4]+ 284.18562 173.2
[M+K]+ 305.11496 163.9
[M+H-H2O]+ 249.14906 157.1
[M+HCOO]- 311.15000 173.7
[M+CH3COO]- 325.16565 190.3
[M+Na-2H]- 287.12647 157.8
[M]+ 266.15125 155.0
[M]- 266.15235 155.0
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.