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]+ 267.159076 167.3
[M+Na]+ 289.141018 174.3
[M-H]- 265.144524 176.2
[M+NH4]+ 284.185623 174.1
[M+K]+ 305.114958 176.7
[M+H-H2O]+ 249.149060 163.4
[M+HCOO]- 311.150001 178.6
[M+CH3COO]- 325.165651 205.6
[M+Na-2H]- 287.126466 169.5
[M]+ 266.15125142 172.8
[M]- 266.15234858 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.