CID 442147

Artecanin

Structural Information

Molecular Formula
C15H18O5
SMILES
C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@]14[C@H](O4)[C@H]5[C@@]3(O5)C)OC(=O)C2=C)O
InChI
InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14+,15-/m0/s1
InChIKey
KXLUWEYBZBGJRZ-SSISGLGMSA-N
Compound name
(1S,2R,5S,9S,10S,11R,13S,14R)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2103
Patents

278.11542 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.122696 155.0
[M+Na]+ 301.104638 163.4
[M-H]- 277.108144 163.6
[M+NH4]+ 296.149243 166.2
[M+K]+ 317.078578 165.0
[M+H-H2O]+ 261.112680 154.4
[M+HCOO]- 323.113621 160.7
[M+CH3COO]- 337.129271 164.6
[M+Na-2H]- 299.090086 159.1
[M]+ 278.11487142 160.9
[M]- 278.11596858 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.