(Q104250511)

English

(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester

group of stereoisomers with the chemical formula C₂₅H₃₂N₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

aspidospermine / aspidofractine / kopsane alkaloid

1 reference

inferred from

aspidospermine / aspidofractine / kopsane alkaloid

mass

456.2260367439998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₂N₂O₆

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canonical SMILES

O=C(OC1C(O)(C(=O)OC)C2N(C3=CC(OC)=CC=C3C42CCN5CC=CC1(CC)C54)C)C

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isomeric SMILES

CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1OC(C)=O)[C@H]32

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found in taxon

Catharanthus roseus

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stated in

THE ORIGIN OF INDOLE ALKALOIDS

Identifiers

InChI

InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21?,23-,24-,25+/m1/s1

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InChIKey

CXBGOBGJHGGWIE-VJAGLATISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CXBGOBGJHGGWIE-VJAGLATISA-N

1 reference

(Q104250511)

(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester

Statements

Identifiers

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