(Q105247118)

English

[(1S,3R,4S,6R,7S,8R,13R,16S,17S,20R)-16-benzamido-7-[(1R)-1-(dimethylamino)ethyl]-13-hydroxy-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.03,11.04,8.017,20]icos-10-en-6-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[16-Benzamido-7-[1-(dimethylamino)ethyl]-13-hydroxy-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.03,11.04,8.017,20]icos-10-en-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

578.3719727 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₀N₂O₅

0 references

canonical SMILES

CC(=O)OC1CC2(C)C3CC4OCC5(C)C(NC(=O)c6ccccc6)CCC(O)(CC3=CCC2(C)C1C(C)N(C)C)C45

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)CC[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@@H](C)N(C)C)[C@@H]45

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found in taxon

Buxus natalensis

1 reference

stated in

Triterpenoidal alkaloids from Buxus natalensis and their acetylcholinesterase inhibitory activity

Identifiers

InChI

InChI=1S/C35H50N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-13,21,25-30,40H,14-20H2,1-7H3,(H,36,39)/t21-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35-/m1/s1

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InChIKey

RXLGMGRGCDFDRC-HLAUOVNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXLGMGRGCDFDRC-HLAUOVNOSA-N

(Q105247118)

[(1S,3R,4S,6R,7S,8R,13R,16S,17S,20R)-16-benzamido-7-[(1R)-1-(dimethylamino)ethyl]-13-hydroxy-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.03,11.04,8.017,20]icos-10-en-6-yl] acetate

Statements

Identifiers

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