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]+ 267.159076 158.2
[M+Na]+ 289.141018 165.5
[M-H]- 265.144524 158.4
[M+NH4]+ 284.185623 173.2
[M+K]+ 305.114958 163.9
[M+H-H2O]+ 249.149060 157.1
[M+HCOO]- 311.150001 173.7
[M+CH3COO]- 325.165651 190.3
[M+Na-2H]- 287.126466 157.8
[M]+ 266.15125142 155.0
[M]- 266.15234858 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.