(Q105298221)

English

(E)-N-[(5R,8S,9S,10R,13S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide

group of stereoisomers with the chemical formula C₂₈H₄₄N₂O₂

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instance of

group of stereoisomers

0 references

1 reference

440.340278648 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄N₂O₂

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canonical SMILES

CC=C(C)C(=O)NC1=CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)C1=O

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isomeric SMILES

C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3C4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O

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found in taxon

Sarcococca saligna

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stated in

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

Identifiers

InChI

InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21?,22-,23-,27+,28+/m0/s1

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InChIKey

VWQAUBJBEMSAFZ-WVVIAQNPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWQAUBJBEMSAFZ-WVVIAQNPSA-N

1 reference

(Q105298221)

(E)-N-[(5R,8S,9S,10R,13S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide

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