(Q105140710)

English

N-[(3R,5S,8R,9R,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylacetamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

373.298079488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₉NO₂

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canonical SMILES

O=C(N(C)C1CCC2(C)C(CCC3C4CCC(C(=O)C)C4(C)CCC32)C1)C

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isomeric SMILES

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

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found in taxon

Holarrhena pubescens

1 reference

stated in

Alcaloïdes des feuilles de Holarrhena febrifuga

Identifiers

InChI

InChI=1S/C24H39NO2/c1-15(26)20-8-9-21-19-7-6-17-14-18(25(5)16(2)27)10-12-23(17,3)22(19)11-13-24(20,21)4/h17-22H,6-14H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24+/m0/s1

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InChIKey

KGECUYUTWWUGRM-KSBKVOADSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105140710)

N-[(3R,5S,8R,9R,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylacetamide

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