CID 102515367

Isotrichodermin

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1=CC2[C@](CC1)([C@]3(C[C@H](C(C34CO4)O2)OC(=O)C)C)C
InChI
InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13?,14?,15+,16-,17?/m1/s1
InChIKey
OZXJPPYWZVBMGW-WIAGQQCESA-N
Compound name
[(1R,2R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

62
Patents

292.16745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 168.7
[M+Na]+ 315.15667 180.7
[M+NH4]+ 310.20127 182.2
[M+K]+ 331.13061 173.2
[M-H]- 291.16017 180.6
[M+Na-2H]- 313.14212 175.5
[M]+ 292.16690 175.5
[M]- 292.16800 175.5
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.