3α,6β-Ditigloyloxytropan-7β-ol

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0241

CAS

7159-86-6

Product Name

3α,6β-Ditigloyloxytropan-7β-ol

Structure

Product Details

Description

3α,6β-Ditigloyloxytropan-7β-ol is an alkaloid isolated from Datura metel.

Synonyms

3alpha,6beta-Ditigloyloxytropan-7beta-ol; [(1S,3S,5R,6R,7S)-7-hydroxy-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

Molecular Weight

337.416

Molecular Formula

C18H27NO5

Canonical SMILES

CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O

InChI

InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+/t12-,13-,14+,15-,16+/m0/s1

InChIKey

FRQMNJFBOJQRAQ-KCRLEBACSA-N

Boiling Point

435.6±45.0°C (Predicted)

Density

1.17±0.1 g/cm3(Predicted)

Appearance

Oil

Form

Powder

pKa

13.23±0.60(Predicted)

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