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]+ 279.122696 157.1
[M+Na]+ 301.104638 166.7
[M-H]- 277.108144 158.2
[M+NH4]+ 296.149243 172.0
[M+K]+ 317.078578 164.5
[M+H-H2O]+ 261.112680 156.7
[M+HCOO]- 323.113621 173.2
[M+CH3COO]- 337.129271 193.8
[M+Na-2H]- 299.090086 155.8
[M]+ 278.11487142 154.9
[M]- 278.11596858 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.