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

HCID 16596CAS 2182-14-1

Basic information

Standard SMILES
CCC12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32
InChIKey
CXBGOBGJHGGWIE-KKFURDAFSA-N
Molecular formula
C25H32N2O6
Average molar mass
456.5 g/mol

Overview

See also: Vindoline (annotation moved to).

Names & identifiers

Preferred name
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-
IUPAC
methyl (1R,9R,10S,11R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Names & synonyms

Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-CHEMBL526546SCHEMBL29713444EX-A7779KCXBGOBGJHGGWIE-KKFURDAFSA-NAKOS032440830methyl acetoxy-ethyl-hydroxy-methoxy-methyl-[?]carboxylate(3a1R,4R,5S,5aR,10bR)-methyl 4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylateMethyl (1R,9R,10S,11R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylateMethyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

Database identifiers

CAS
2182-14-1
PubChem CID
16596
ChEMBL
CHEMBL526546

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
88.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

Related reactions

5 records

Linked notes

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