CID 6436820

Ebelactone a

Structural Information

Molecular Formula
C20H34O4
SMILES
CC[C@@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C[C@H](C)[C@H]1[C@@H](C(=O)O1)C)O
InChI
InChI=1S/C20H34O4/c1-8-12(3)17(21)15(6)18(22)13(4)9-11(2)10-14(5)19-16(7)20(23)24-19/h9,12-17,19,21H,8,10H2,1-7H3/b11-9+/t12-,13-,14+,15+,16+,17-,19+/m1/s1
InChIKey
WOISDAHQBUYEAF-QIQXJRRPSA-N
Compound name
(3S,4S)-4-[(E,2S,6R,8S,9R,10R)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

36
Patents

338.2457 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 194.2
[M+Na]+ 361.23492 195.0
[M+NH4]+ 356.27952 193.4
[M+K]+ 377.20886 195.0
[M-H]- 337.23842 189.6
[M+Na-2H]- 359.22037 187.9
[M]+ 338.24515 191.2
[M]- 338.24625 191.2
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

patents stripe