CID 3001249

5-dehydrofumagillol

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H](C(=O)CC[C@]23CO3)OC)C
InChI
InChI=1S/C16H24O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,12-14H,6-9H2,1-4H3/t12-,13-,14-,15+,16+/m1/s1
InChIKey
RKYFKXLMWVUYJY-SUJAAXHWSA-N
Compound name
(3R,4S,5S)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

280.16745 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 172.5
[M+Na]+ 303.15667 179.4
[M-H]- 279.16017 182.3
[M+NH4]+ 298.20127 179.4
[M+K]+ 319.13061 182.4
[M+H-H2O]+ 263.16471 168.1
[M+HCOO]- 325.16565 184.6
[M+CH3COO]- 339.18130 210.0
[M+Na-2H]- 301.14212 174.4
[M]+ 280.16690 179.6
[M]- 280.16800 179.6
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.