(3β,5β,16β)-16-(Formyloxy)-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]-14-hydroxycard-20(22)-enolide

CAS Registry Number®

20460-30-4

CAS Name

(3β,5β,16β)-16-(Formyloxy)-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]-14-hydroxycard-20(22)-enolide

Molecular Formula

C50H76O21

Molecular Mass

1013.13

Cite this Page

(3β,5β,16β)-16-(Formyloxy)-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]-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=20460-30-4 (retrieved 2024-11-25) (CAS RN: 20460-30-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C50H76O21/c1-22-44(69-38-16-32(55)45(23(2)64-38)70-39-17-33(66-25(4)53)46(24(3)65-39)71-47-43(59)42(58)41(57)35(19-51)68-47)31(54)15-37(63-22)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(56)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,54-55,57-60H,7-12,14-20H2,1-6H3

InChIKey

InChIKey=YMKWEJBJAVBYHU-UHFFFAOYSA-N

SMILES

CC12C(O)(C3C(CC1)C4(C)C(CC3)CC(OC5CC(O)C(OC6CC(O)C(OC7CC(OC(C)=O)C(OC8OC(CO)C(O)C(O)C8O)C(C)O7)C(C)O6)C(C)O5)CC4)CC(OC=O)C2C=9COC(=O)C9

Canonical SMILES

O=COC1CC2(O)C3CCC4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC(=O)C)C7)C(O)C6)C(O)C5)CCC4(C)C3CCC2(C)C1C9=CC(=O)OC9

Other Names for this Substance

  • Card-20(22)-enolide, 16-(formyloxy)-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]-14-hydroxy-, (3β,5β,16β)-
  • Lanatoside E
  • (3β,5β,16β)-16-(Formyloxy)-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]-14-hydroxycard-20(22)-enolide

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