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37020

Digitoxigenin

Name: Digitoxigenin
Brand: SIAL

puriss., ≥99.0% (HPLC)

Synonym(s):

3β,14-Dihydroxy-5β,20(22)-cardenolide, 3,14,21-Trihydroxy-20(22)-norcholenic acid lactone, 5β,20(22)-Cardenolide-3β,14-diol

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About This Item

Empirical Formula (Hill Notation):

C₂₃H₃₄O₄

CAS Number:

143-62-4

Molecular Weight:

374.51

EC Number:

205-603-4

UNSPSC Code:

12161900

PubChem Substance ID:

24863063

Beilstein/REAXYS Number:

95448

MDL number:

MFCD00003687

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Properties

description

non-ionic

grade

puriss.

assay

≥99.0% (HPLC)

optical activity

[α]20/D +14.5±2°, c = 1% in methanol

mp

253 °C (lit.)

SMILES string

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2

InChI

1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1

InChI key

XZTUSOXSLKTKJQ-CESUGQOBSA-N

Gene Information

rat ... Atp1a1(24211)

Description

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