(Q105259187)

English

(1R,9R,10S,12R,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-yl acetate

group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₃

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instance of

group of stereoisomers

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368.20999275599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈N₂O₃

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canonical SMILES

O=C(OC1C2C3N4C(O)C(CC)C2CC4C5N(C=6C=CC=CC6C15C3)C)C

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isomeric SMILES

CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2C5OC(C)=O)N3[C@@H]1O

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Identifiers

InChI

InChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12-,13-,16-,17-,18?,19-,20?,21+,22+/m0/s1

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InChIKey

SRISWFJLVRCABV-JFIZVOJDSA-N

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26 December 2021

matched by identifier from

InChIKey

SRISWFJLVRCABV-JFIZVOJDSA-N

1 reference

(Q105259187)

(1R,9R,10S,12R,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-yl acetate

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