(Q105182071)

English

N-[(2R,3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-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]-3-methylbut-2-enamide

chemical compound

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Statements

instance of

type of chemical entity

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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]-3-methylbut-2-enamide

1 reference

based on heuristic

inferred from SMILES

mass

444.371578776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈N₂O₂

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canonical SMILES

CC(C)=CC(=O)NC1CC2CCC3C(CCC4(C)C3CCC4C(C)N(C)C)C2(C)CC1O

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isomeric SMILES

CC(C)=CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@H]1O

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found in taxon

Pachysandra axillaris

1 reference

stated in

Pregnane alkaloids from Pachysandra axillaris

Identifiers

InChI

InChI=1S/C28H48N2O2/c1-17(2)14-26(32)29-24-15-19-8-9-20-22-11-10-21(18(3)30(6)7)27(22,4)13-12-23(20)28(19,5)16-25(24)31/h14,18-25,31H,8-13,15-16H2,1-7H3,(H,29,32)/t18-,19-,20-,21+,22-,23-,24+,25+,27+,28-/m0/s1

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InChIKey

NNCXWVUZKIDBPI-WKHHRFKGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NNCXWVUZKIDBPI-WKHHRFKGSA-N

1 reference

(Q105182071)

N-[(2R,3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-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]-3-methylbut-2-enamide

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