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 157.1
[M+Na]+ 301.10464 166.7
[M-H]- 277.10814 158.2
[M+NH4]+ 296.14924 172.0
[M+K]+ 317.07858 164.5
[M+H-H2O]+ 261.11268 156.7
[M+HCOO]- 323.11362 173.2
[M+CH3COO]- 337.12927 193.8
[M+Na-2H]- 299.09009 155.8
[M]+ 278.11487 154.9
[M]- 278.11597 154.9
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.