(Q104938009)

English

rauwolscine

group of stereoisomers with the chemical formula C₂₁H₂₆N₂O₃

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Statements

group of stereoisomers

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yohimbinoid alkaloid

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yohimbinoid alkaloid

354.194342692 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12

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isomeric SMILES

COC(=O)[C@@H]1C(O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21

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Identifiers

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18?,19+/m1/s1

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BLGXFZZNTVWLAY-LSJCQCDQSA-N

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1 reference

26 December 2021

UniChem compound ID

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