Chemical Compound

Digitonin

CAS Registry Number 11024-24-1
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Digitonin chemical structure
Primary Record

Digitonin

In stock
5,411 g
Purity
99.1 %
CAS
11024-24-1

Compound Identifiers & Properties

CAS
11024-24-1
PubChem CID
439305
SMILES
C[C@H]1[C@H]2[C@H]([C@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)O[C@]11CCC(CO1)C
Canonical SMILES
CC1CC[C@@]2(OC1)O[C@H]1[C@@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

Names & Synonyms

  • Digitonin
  • Digitonine
  • Digitin
  • Digitogenin, glycoside
  • UNII-KOO5CM684H
  • AC1L973E
  • EINECS 234-255-6
  • C56H92O29
  • CID439305
  • NSC 23471
  • BRN 0078654
  • C56-H92-O29
  • AI3-44893
  • J3.168.583D
  • C00765
  • 5-19-03-00603 (Beilstein Handbook Reference)
  • 11024-24-1
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,3'S,4'R,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-3',15'-dioloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
  • .beta.-D-Galactopyranoside, (2.alpha.,3.beta.,5.alpha.,15.beta.,25R)-2,15-dihydroxyspirostan-3-yl O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-.beta.-D-galactopyranosyl-(1.fwdarw.2)-O-[.beta.-D-xylopyranosyl-(1.fwdarw.3)]-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-
  • ?-d-galactopiranosida, (2?,3?,5?,15?,25r)-2,15-dihidroxispirostan-3-il o-?-d-glucopiranosil-(1?3)-o-?-d-galactopiranosil-(1?2)-o-[?-d-xilopiranosil-(1?3)]-o-?-d-glucopiranosil-(1?4)-
  • 3beta-[4-O-[2-O-[3-O-(beta-D-Glucopyranosyl)-beta-D-galactopyranosyl]-3-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]-beta-D-galactopyranosyloxy]-5alpha-spirostane-2alpha,15beta-diol
  • beta.-D-Galactopyranoside, (2.alpha.,3.beta.,5.alpha.,15.beta.,25R)-2,15-dihydroxyspirostan-3-yl O-.beta.-D-glucopyranosyl-(1?3)-O-.beta.-D-galactopyranosyl-(1?2)-O-[.beta.-D-xylopyranosyl-(1?3)]-O-.beta.-D-glucopyranosyl-(1?4)-
  • CC12CCC3C(CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C5O)C(O)CC34C)C2C(O)C%10OC%11(CCC(C)CO%11)C(C)C1%10