CID 453210

Deserpideine

Structural Information

Molecular Formula
C32H36N2O8
SMILES
CO[C@H]1[C@@H](C=C2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI
InChI=1S/C32H36N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-14,21,23,26-27,30,33H,10-11,15-16H2,1-5H3/t21-,23+,26+,27-,30-/m0/s1
InChIKey
RDGOSTXDEPKFIL-NPWMLVFOSA-N
Compound name
methyl (1R,17R,18R,19S,20R)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,17,18,19,20,21-decahydroyohimban-19-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

576.2472 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.25448 237.1
[M+Na]+ 599.23642 240.4
[M-H]- 575.23992 241.9
[M+NH4]+ 594.28102 241.9
[M+K]+ 615.21036 237.6
[M+H-H2O]+ 559.24446 225.5
[M+HCOO]- 621.24540 242.8
[M+CH3COO]- 635.26105 258.2
[M+Na-2H]- 597.22187 232.9
[M]+ 576.24665 242.3
[M]- 576.24775 242.3
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.