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(-)-vincadifformine

Go to external page http://purl.obolibrary.org/obo/CHEBI_70507

An aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata.

Term info

Label

(-)-vincadifformine

Synonyms
  • methyl (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylate [ IUPAC ]

charge

0

formula

C21H26N2O2

has obo namespace

chebi_ontology

has related synonym

(5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester, aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methylester, (5alpha,12beta,19alpha)-, 6,7-dihydrotabersonine, vincadifformine, methyl (5S,12R,19S)-2,3-didehydroaspidospermidine-3-carboxylate

id

CHEBI:70507

inchi

InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1

inchikey

GIGFIWJRTMBSRP-ACRUOGEOSA-N

mass

338.444

monoisotopicmass

338.19943

smiles

C=1(C[C@]2([C@@]3(N(CCC2)CC[C@]43C5=C(NC41)C=CC=C5)[H])CC)C(=O)OC