(3β,5β,16β)-16-(Acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

CAS Registry Number®

7242-04-8
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CAS Name

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

Molecular Formula

C51H74O19

Molecular Mass

991.12

Cite this Page

(3β,5β,16β)-16-(Acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7242-04-8 (retrieved 2024-07-07) (CAS RN: 7242-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3

InChIKey

InChIKey=JDYLJSDIEBHXPO-UHFFFAOYSA-N

SMILES

OC12C(C)(C(C(OC(C)=O)C1)C=3COC(=O)C3)CCC4C2CCC5C4(C)CCC(OC6CC(OC(C)=O)C(OC7CC(OC(C)=O)C(OC8CC(OC(C)=O)C(OC(C)=O)C(C)O8)C(C)O7)C(C)O6)C5

Canonical SMILES

O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC(=O)C)C(OC(=O)C)C8)C(OC(=O)C)C7)C(OC(=O)C)C6)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 16-(acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-
  • Gitoxin, 3′,3′′,3′′′,4′′′,16-pentaacetate
  • Gitoxin pentaacetate
  • (3β,5β,16β)-16-(Acetyloxy)-3-[(O-3,4-di-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • Pengitoxin

View All

Deleted or Replaced CAS Registry Numbers

27071-80-3