(Q105298872)

English

[(3R,6S,7S,8S,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[Benzoyl(methyl)amino]-15-[1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

594.403272828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄N₂O₅

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canonical SMILES

O=C(OC1CC2(C)C3C(=CCC2(C)C1C(N(C)C)C)CC4(O)CCC(N(C(=O)C=5C=CC=CC5)C)C(C)(CO)C4CC3)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]4(O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C

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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/C36H54N2O5/c1-23(37(6)7)31-28(43-24(2)40)21-35(5)27-14-15-29-33(3,22-39)30(38(8)32(41)25-12-10-9-11-13-25)17-19-36(29,42)20-26(27)16-18-34(31,35)4/h9-13,16,23,27-31,39,42H,14-15,17-22H2,1-8H3/t23-,27+,28+,29-,30-,31-,33-,34+,35-,36+/m0/s1

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InChIKey

VYBKKMOWMQANMV-RBODEHBJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VYBKKMOWMQANMV-RBODEHBJSA-N

(Q105298872)

[(3R,6S,7S,8S,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate

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