CID 14562695

De-o-methyllasiodiplodin

Structural Information

Molecular Formula
C16H22O4
SMILES
C[C@H]1CCCCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI
InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m0/s1
InChIKey
NFEVFCAOVZCHBN-NSHDSACASA-N
Compound name
(4S)-14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

278.1518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 162.4
[M+Na]+ 301.14102 168.1
[M-H]- 277.14452 162.6
[M+NH4]+ 296.18562 174.4
[M+K]+ 317.11496 166.5
[M+H-H2O]+ 261.14906 159.9
[M+HCOO]- 323.15000 175.9
[M+CH3COO]- 337.16565 190.1
[M+Na-2H]- 299.12647 164.0
[M]+ 278.15125 155.9
[M]- 278.15235 155.9
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.