(Q105196969)

English

(5alpha,12beta,19alpha)-2,3-Didehydro-8-oxoaspidospermidine-3-carboxylic acid methyl ester

chemical compound

In more languages

Statements

type of chemical entity

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aspidospermine / aspidofractine / kopsane alkaloid

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352.178692628 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

3-Oxovincadifformine

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based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₃

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canonical SMILES

O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5C(=O)CCC(C1)(CC)C54

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isomeric SMILES

CC[C@]12CCC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32

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Tabernaemontana grandiflora

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Alkaloids of Stemmadenia grandiflora

Identifiers

InChI=1S/C21H24N2O3/c1-3-20-9-8-16(24)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(25)26-2/h4-7,19,22H,3,8-12H2,1-2H3/t19-,20-,21-/m0/s1

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OQLYVMALDCKIQD-ACRUOGEOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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