CID 169340

11-desacetoxywortmannin

Structural Information

Molecular Formula
C21H22O6
SMILES
C[C@]12CCC3=C([C@@H]1CCC2=O)C(=O)C4=C5[C@@]3([C@H](OC(=O)C5=CO4)COC)C
InChI
InChI=1S/C21H22O6/c1-20-7-6-12-15(11(20)4-5-13(20)22)17(23)18-16-10(8-26-18)19(24)27-14(9-25-3)21(12,16)2/h8,11,14H,4-7,9H2,1-3H3/t11-,14+,20-,21-/m0/s1
InChIKey
GXVZXRZMWGYXMQ-DJOOALQISA-N
Compound name
(1R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-triene-6,11,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

370.14163 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 183.2
[M+Na]+ 393.13085 193.4
[M+NH4]+ 388.17545 193.9
[M+K]+ 409.10479 188.0
[M-H]- 369.13435 186.5
[M+Na-2H]- 391.11630 182.4
[M]+ 370.14108 185.8
[M]- 370.14218 185.8
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

patents stripe