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 167.3
[M+Na]+ 289.14102 174.3
[M-H]- 265.14452 176.2
[M+NH4]+ 284.18562 174.1
[M+K]+ 305.11496 176.7
[M+H-H2O]+ 249.14906 163.4
[M+HCOO]- 311.15000 178.6
[M+CH3COO]- 325.16565 205.6
[M+Na-2H]- 287.12647 169.5
[M]+ 266.15125 172.8
[M]- 266.15235 172.8
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.