(3β,5β,12β,16β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide

CAS Registry Number®

11030-31-2
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CAS Name

(3β,5β,12β,16β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide

Molecular Formula

C49H76O21

Molecular Mass

1001.12

Cite this Page

(3β,5β,12β,16β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11030-31-2 (retrieved 2024-05-15) (CAS RN: 11030-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246.2-248 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1

InChIKey

InChIKey=CMJNCFRBMBTRSY-WRBNHJDJSA-N

SMILES

O[C@@]12[C@@](C)([C@H]([C@@H](O)C1)C=3COC(=O)C3)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](OC(C)=O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)C5)[H])[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC(=O)C)C8)C(O)C7)C(O)C6)CCC5(C)C4CC(O)C23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-, (3β,5β,12β,16β)-
  • Lanatoside D
  • (3β,5β,12β,16β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
  • Digilanide D

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