(Q105340207)

English

N-[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-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]-3,4-dimethylpent-3-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]-4-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]-3,4-dimethylpent-3-enamide

1 reference

based on heuristic

inferred from SMILES

mass

472.402878904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂N₂O₂

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canonical SMILES

CC(C)=C(C)CC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)C1O

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isomeric SMILES

CC(C)=C(C)CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)[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/C30H52N2O2/c1-18(2)19(3)17-27(33)31-26-14-16-30(6)24-13-15-29(5)22(20(4)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)34/h20-26,28,34H,9-17H2,1-8H3,(H,31,33)/t20-,21-,22+,23-,24-,25-,26-,28+,29+,30+/m0/s1

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InChIKey

XQXRSAUBFZAXNF-YPJAPOCRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XQXRSAUBFZAXNF-YPJAPOCRSA-N

1 reference

(Q105340207)

N-[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-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]-3,4-dimethylpent-3-enamide

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