CID 101396372

5-dehydro-6-demethoxy-6-hydroxyfumagillol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H](C(=O)CC[C@]23CO3)O)C
InChI
InChI=1S/C15H22O4/c1-9(2)4-5-11-14(3,19-11)13-12(17)10(16)6-7-15(13)8-18-15/h4,11-13,17H,5-8H2,1-3H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey
DSGRZHOZFJPOFL-ZSAUSMIDSA-N
Compound name
(3R,4S,5S)-5-hydroxy-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

0
Patents

266.1518 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 143.3
[M+Na]+ 289.14102 155.4
[M+NH4]+ 284.18562 153.1
[M+K]+ 305.11496 152.4
[M-H]- 265.14452 160.1
[M+Na-2H]- 287.12647 154.1
[M]+ 266.15125 152.1
[M]- 266.15235 152.1
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.