(Q104667731)

English

N-[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-benzamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

N-[17-[1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide

1 reference

based on heuristic

inferred from SMILES

mass

466.355928712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆N₂O₂

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canonical SMILES

CC(C1CCC2C3CCC4CC(NC(=O)c5ccccc5)C(O)CC4(C)C3CCC21C)N(C)C

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isomeric SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C

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found in taxon

Sarcococca saligna

2 references

stated in

Pregnane-Type Steroidal Alkaloids ofSarcococca saligna: a New Class of Cholinesterase Inhibitors

stated in

3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)

Identifiers

InChI

InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1

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InChIKey

XIHQWIIPJIXLEO-FXHHUKKCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XIHQWIIPJIXLEO-FXHHUKKCSA-N

1 reference

(Q104667731)

N-[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-benzamide

Statements

Identifiers

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