Vindoline

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Systematic / IUPAC Name: Methyl (2β,4β,5α,12β,19α)-4-acetoxy-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

ID: Reference6238

Other Names: (-)-Vindoline;
Vindolin;
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12β,19α)-;
Methyl (2?,3?,4?,5?,12R,19?)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylate;
NSC 91994

Formula: C25H32N2O6

Class: Endogenous Metabolites

Spectral Data

Vindoline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3927
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/24/2017 8:39:48 AM
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Identificators

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-/m0/s1
InChI Key CXBGOBGJHGGWIE-ACSXSLCXSA-N
Canonical SMILES CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
CAS 2182141
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Other Names (-)-Vindoline;
Vindolin;
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12β,19α)-;
Methyl (2?,3?,4?,5?,12R,19?)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylate;
NSC 91994

In Other Databases

PubChem 260535
KEGG C01626
ChemSpider 228680
ChEMBL CHEMBL2001832
Wikipedia Vindoline