CID 131752027

2beta,9xi-dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide

Structural Information

Molecular Formula
C15H18O5
SMILES
C/C/1=C/C2C(C(C(=O)/C(=C\C(C1)O)/C)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-
InChIKey
BPDUDXQLWXZOHB-SFECMWDFSA-N
Compound name
(6Z,10Z)-4,8-dihydroxy-6,10-dimethyl-3-methylidene-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11542 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 160.3
[M+Na]+ 301.10464 170.2
[M+NH4]+ 296.14924 165.2
[M+K]+ 317.07858 168.1
[M-H]- 277.10814 161.0
[M+Na-2H]- 299.09009 159.9
[M]+ 278.11487 161.2
[M]- 278.11597 161.2
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.