chempirical

Vindoline

C25H32N2O6CAS 2182-14-1456.54 g/mol

Open in Covalent MOL file
NONHOOOOO
AlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C25H32N2O6
Molar mass
456.54 g/mol
Exact mass
456.2260 Da
Melting point
164–165 °C
logP
1.64Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
4
Stereocentres
R, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number
2182-14-1
SMILES
CC[C@]12C=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-ACSXSLCXSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12R,19α)-
  • Vindoline, (-)-
  • Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12β,19α)-
  • 1H-Indolizino[8,1-cd]carbazole, aspidospermidine-3-carboxylic acid deriv.
  • Vindolin
  • (-)-Vindoline
  • NSC 91994

Work with Vindoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vinorelbine71486-22-159 % similar Anhydrovinblastine38390-45-358 % similar Vinblastine865-21-458 % similar 4′-Deoxy-20′,20′-difluoro-5′-norvincaleukoblastine162652-95-157 % similar Vinblastine sulfate143-67-955 % similar Navelbine125317-39-754 % similar (+)-Vincristine57-22-750 % similar Vincristine sulfate2068-78-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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