CID 42608256

Novaxenicins a

Structural Information

Molecular Formula
C20H28O5
SMILES
C[C@@]1(CC[C@H]2[C@@H](CO[C@@H]3C2=C[C@H](O3)[C@@H]4C(O4)(C)C)C(=C)C[C@@H]5[C@H]1O5)O
InChI
InChI=1S/C20H28O5/c1-10-7-14-17(23-14)20(4,21)6-5-11-12-8-15(16-19(2,3)25-16)24-18(12)22-9-13(10)11/h8,11,13-18,21H,1,5-7,9H2,2-4H3/t11-,13+,14-,15+,16-,17-,18+,20+/m1/s1
InChIKey
PVAIAJLEMKCLCA-VQWSFFERSA-N
Compound name
(1R,4R,6R,7S,10S,13S,15S)-13-[(2R)-3,3-dimethyloxiran-2-yl]-7-methyl-2-methylidene-5,14,16-trioxatetracyclo[8.7.0.04,6.011,15]heptadec-11-en-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20094 198.1
[M+Na]+ 371.18288 198.5
[M-H]- 347.18638 198.1
[M+NH4]+ 366.22748 198.3
[M+K]+ 387.15682 201.0
[M+H-H2O]+ 331.19092 192.8
[M+HCOO]- 393.19186 198.8
[M+CH3COO]- 407.20751 199.4
[M+Na-2H]- 369.16833 200.1
[M]+ 348.19311 198.4
[M]- 348.19421 198.4
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.