(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide

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For Research Use Only.

Size	Price	Stock	Quantity
2 mg	$1099	In stock

Category

Alkaloids

Cat.No.

NP0329

CAS

126594-73-8

Product Name

(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide

Structure

Product Details

Description

Vallesamine N-oxide is isolated from the leaves of Alstonia scholaris.

Synonyms

(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide;

IUPAC Name

methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1-oxido-10-aza-1-azoniatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate

Molecular Weight

356.4

Molecular Formula

C20H24N2O4

Canonical SMILES

CC=C1C[N+]2(CCC1C(C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC)[O-]

InChI

InChI=1S/C20H24N2O4/c1-3-13-10-22(25)9-8-16(13)20(12-23,19(24)26-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-,22?/m0/s1

InChIKey

CWLUMLLPZBYHMO-QJWCMHSQSA-N

Purity

98%

Appearance

Powder

Color

Yellow

Form

Powder

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